Molecule

ID:43421

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂S
Molecular Mass
267.7313
Exact Mass
267.01207725
Charge
0
InChI
InChI=1S/C12H10ClNO2S/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKey
WCRPOVQKXFFTAG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cc1nc(c(s1)C(=O)O)C
Isomeric Smiles
c1(c(nc(s1)Cc1ccc(Cl)cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0961156
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.72446764
LogD (pH = 7.4)
-0.34959072
Log P
3.1148803
Molar Refractivity
66.8656
Polarizability
25.502775
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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