Molecule

ID:16300

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO₂S
Molecular Mass
236.07522
Exact Mass
234.9261547
Charge
0
InChI
InChI=1S/C7H3Cl2NO2S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3H
InChIKey
GNJOWOAPHOFJBW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)Cl)S(=O)(=O)Cl
Isomeric Smiles
c1(c(cc(cc1)C#N)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3796897
LogD (pH = 7.4)
2.3796897
Log P
2.3796897
Molar Refractivity
50.7786
Polarizability
20.254877
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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