Molecule

ID:43358

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO₂S
Molecular Mass
267.7313
Exact Mass
267.01207725
Charge
0
InChI
InChI=1S/C12H10ClNO2S/c1-7-10(6-11(15)16)14-12(17-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKey
WWDOGPMSTOQZLQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1nc(sc1C)c1ccc(cc1)Cl
Isomeric Smiles
n1c(sc(c1CC(=O)O)C)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
4.456948
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.82873
LogD (pH = 7.4)
1.0692024
Log P
3.766136
Molar Refractivity
77.1647
Polarizability
26.23793
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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