Molecule

ID:77198

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO₂S₂
Molecular Mass
233.69516
Exact Mass
232.93719805
Charge
0
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H
InChIKey
XQOLJTWXFUSVOR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)scn2
Isomeric Smiles
n1csc2cc(ccc12)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0597434
LogD (pH = 7.4)
2.0597744
Log P
2.0597749
Molar Refractivity
51.3229
Polarizability
21.72044
Polar Surface Area
47.03
Rotatable Bonds
1
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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