Molecule
ID:80813
General Information
Molecular Formula
C₁₉H₁₅ClNOPS
Molecular Mass
371.820261
Exact Mass
371.03004942
Charge
0
InChI
InChI=1S/C19H15ClNOPS/c20-17-13-7-8-14-18(17)21-19(24)23(22,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,24)
InChIKey
ZPHUBLFAASIMJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1NC(=S)P(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)Nc1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
5.2562194
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.789032
LogD (pH = 7.4)
4.70245
Log P
6.2109
Molar Refractivity
105.8849
Polarizability
41.23673
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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