Molecule

ID:58916

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₃S
Molecular Mass
247.6986
Exact Mass
247.00699187
Charge
0
InChI
InChI=1S/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKey
DRQKKEYKSSAVTO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1)NS(=O)(=O)C
Isomeric Smiles
c1(ccc(cc1)C(=O)CCl)NS(=O)(=O)C
Calculated Properties
JChem
Acid pKa
8.750659
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.44116035
LogD (pH = 7.4)
0.42462936
Log P
0.44137633
Molar Refractivity
57.8972
Polarizability
23.131107
Polar Surface Area
63.24
Rotatable Bonds
3
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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