Molecule

ID:80634

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO₃S₂
Molecular Mass
249.69456
Exact Mass
248.93211267
Charge
0
InChI
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-9-4-12-5/h1-4H
InChIKey
MAGTZUMWQUDWAH-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)c1cnco1
Isomeric Smiles
S(=O)(=O)(c1ccc(s1)c1cnco1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3718091
LogD (pH = 7.4)
1.3718107
Log P
1.3718107
Molar Refractivity
52.0251
Polarizability
22.138496
Polar Surface Area
60.17
Rotatable Bonds
2
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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