Molecule

ID:39749

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂S
Molecular Mass
267.7313
Exact Mass
267.01207725
Charge
0
InChI
InChI=1S/C12H10ClNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKey
CZHCDUHYBAUDOG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(nc1C)c1ccc(cc1)Cl
Isomeric Smiles
c1(sc(nc1C)c1ccc(cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.528137
LogD (pH = 7.4)
3.52814
Log P
3.52814
Molar Refractivity
77.5737
Polarizability
26.482662
Polar Surface Area
39.19
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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