Molecule

ID:80838

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅ClNOPS
Molecular Mass
371.820261
Exact Mass
371.03004942
Charge
0
InChI
InChI=1S/C19H15ClNOPS/c20-15-8-7-9-16(14-15)21-19(24)23(22,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,(H,21,24)
InChIKey
LGBHQNSOHFQMQU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)NC(=S)P(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)Nc1cc(ccc1)Cl
Calculated Properties
JChem
Acid pKa
5.273581
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7993174
LogD (pH = 7.4)
4.706377
Log P
6.2109
Molar Refractivity
105.8849
Polarizability
41.224663
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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