Molecule

ID:124758

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₃S₂
Molecular Mass
277.74772
Exact Mass
276.9634128
Charge
0
InChI
InChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3
InChIKey
ZKYVRFMQSGQKMT-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1C)c1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1sc(c2c(c(no2)C)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4392483
LogD (pH = 7.4)
2.4392562
Log P
2.4392562
Molar Refractivity
62.3904
Polarizability
25.633121
Polar Surface Area
60.17
Rotatable Bonds
2
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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