Kimed 2d.docx

NAMA

STRUKTUR

SIFAT FISIKOKIMIA

Fenol

pKa : 9.900 BM : 94.1130

4-metil fenol

pKa : 10.050 BM : 108.1399

4-kloro fenol

pKa : 9.290 BM : 128.5578

Nipagin

pKa : 8.470 BM : 152.1497

Nipasol

pKa : 8.470 BM : 166.1766

Sulfanilamid

pKa : 10.100 BM : 172.2078

Sulfamerazin

pKa : BM : 264.3080

Sulfadiazin

pKa : 6.480 BM : 250.2812

Sulfaguanidin

pKa : BM : 214.2482

Sulfadoksin

pKa : BM : 310.3337

NAMA

STRUKTUR

FISIKOKIMIA

Fenobarbital

pKa : 7.360 BM : 232.2390

Asam Mefenamat

Report Asam Mefenamat: *** Physical Property Report Generated By CS ChemProp *** ************************************************************************ Data from database ************************************************************************ N-Phenylanthranilic acid,2',3'-dimethyl <Molecular formula> C15 H15 N O2 <Molecular weight> 241.2896 <Partition Coefficient (Log Kow); n-octanol/water> 5.120 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983)

AT PH = 2.0 2.000 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983) PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED 2.370 TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974) PH = 7.0, PHOSPHATE BUFFER; NOT ION CORRECTED 2.050 MENASSE,R.,ET.AL.,SCAND.J.RHEUMAT.,SUPPL.22,5(1978) PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED 4.300 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983) PH = 4.50 5.370 TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974) 4.200 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983) PH = 4.50 5.800 TERADA,H.,MURAOKA,S.,MOL.PHARMACOL.,8,95(1971) PH = 7.5; PHOSPHATE OR RINGER BUFFER; NOTION-CORRECTED 4.330 TERADA,H.,MURAOKA,S.,FUJITA,T.,J.MED.CHEM.,17,330(1974)

PH = 7.0, PHOSPHATE BUFFER; NOT ION CORRECTED 4.200 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983) AT PH = 2.0 4.200 MENASSE,R.,ET.AL.,SCAND.J.RHEUMAT.,SUPPL.22,5(1978) PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED 4.200 LA ROTONDA,M.,SILIPO,C.,ET.AL.,QUANT.STRUCT.ACT.RELAT.,2,168(1983) PH= 7.4, PHOSPHATE BUFFER; NOT ION-CORRECTED ************************************************************************ Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p) ************************************************************************ Log(p)........: 4.03 St..deviation.: 0.47 by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987). Log(p)........: 3.93 St..deviation.: 0.49 by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989).

Estimation using Broto's fragmentation method Log(p)........: 3.65 St..deviation.: 0.55 by Broto's method: Eur.J.Med.Chem.- Chim.Theor.,19,71(1984).

************************************************************************ Estimation of Molar Refractivity ************************************************************************ MR............: 71.80 [cm.cm.cm/mol] St..deviation.: 1.27 by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987). MR............: 71.39 [cm.cm.cm/mol] St..deviation.: 0.77 by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989).

************************************************************************ Estimation of Henry's Constant (H) ************************************************************************ 1. method: H = 8.977 log[unitless] Estimation of mean error..: 0.340 2. method: The Method is not usable for this type of molecule. ************************************************************************ Estimation of the Boiling and Freezing points. ************************************************************************ Normal Boiling Point [p=1atm]: 671.14 [K] Standard Error: 20.400 [K] Joback fragmentation method modified by S.E. Stein

Normal Boiling Point [p=1atm]: 806.78 [K] Standard Error: Error was not estimated. Joback fragmentation method

Freezing Point [p=1atm]: 561.97 [K] Standard Error: 25.000 [K] Joback fragmentation method ************************************************************************ Estimation of the Critical properties. ************************************************************************ Critical Temperature: 871.84 [K] Standard Error: Error was not estimated. Joback fragmentation method

Critical Pressure: 26.598 [bar] Standard Error: Error was not estimated. Joback fragmentation method

Critical Volume: 718.50 [cm.cm.cm/mol] Standard Error: Error was not estimated. Joback fragmentation method ************************************************************************ Estimation of the Thermodynamics properties ************************************************************************ Heat of Formation [T=298.15K, p=1atm]: -211.08 [kJ/mol] Standard Error: Error was not estimated. Joback fragmentation method

Gibbs Energy [T=298.15K, p=1atm]: 16.830 [kJ/mol]

Standard Error: Error was not estimated. Joback fragmentation method

Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 267.00 [J/(mol.K)] Standard Error: Error was not estimated. Joback fragmentation method

NAMA

STRUKTUR

SIFAT FISIKOKIMIA

Amoxicillin

Simvastatin

Morohine

pKa : 7.930 BM : 285.3428