Molecule

ID:113866

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂S
Molecular Mass
239.67814
Exact Mass
238.98077712
Charge
0
InChI
InChI=1S/C10H6ClNO2S/c11-9-8(6-13)15-10(14)12(9)7-4-2-1-3-5-7/h1-6H
InChIKey
MTVFSKBKWKCAIP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(=O)n(c1Cl)c1ccccc1
Isomeric Smiles
n1(c(=O)sc(c1Cl)C=O)c1ccccc1
Calculated Properties
JChem
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4626703
LogD (pH = 7.4)
2.4626703
Log P
2.4626703
Molar Refractivity
70.7425
Polarizability
22.995028
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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