Molecule

ID:10356

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO₂S
Molecular Mass
201.63016
Exact Mass
200.96512705
Charge
0
InChI
InChI=1S/C7H4ClNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
DBMFYTQPPBBKHI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
c1cc(ccc1S(=O)(=O)Cl)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.775645
LogD (pH = 7.4)
1.775645
Log P
1.775645
Molar Refractivity
45.9738
Polarizability
18.26653
Polar Surface Area
57.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
References
Bioactivity
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