Molecule

ID:40273

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂S
Molecular Mass
267.7313
Exact Mass
267.01207725
Charge
0
InChI
InChI=1S/C12H10ClNO2S/c1-8(15)10-4-2-3-5-11(10)16-7-9-6-14-12(13)17-9/h2-6H,7H2,1H3
InChIKey
CJOFVPPYQGMNCL-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(s1)COc1ccccc1C(=O)C
Isomeric Smiles
c1(ncc(s1)COc1c(C(=O)C)cccc1)Cl
Calculated Properties
JChem
Acid pKa
15.616733
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8029394
LogD (pH = 7.4)
2.8029418
Log P
2.8029418
Molar Refractivity
67.555
Polarizability
25.990507
Polar Surface Area
39.19
Rotatable Bonds
4
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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