Molecule

ID:79118

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂S
Molecular Mass
239.67814
Exact Mass
238.98077712
Charge
0
InChI
InChI=1S/C10H6ClNO2S/c11-9-7(3-1-5-12-9)14-10(13)8-4-2-6-15-8/h1-6H
InChIKey
IXMUCEMQJLTPRR-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OC(=O)c1cccs1
Isomeric Smiles
O(c1cccnc1Cl)C(=O)c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.15411
LogD (pH = 7.4)
3.154112
Log P
3.154112
Molar Refractivity
58.46
Polarizability
22.2927
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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