Molecule

ID:76519

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO₃S
Molecular Mass
268.11708
Exact Mass
266.95236945
Charge
0
InChI
InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
InChIKey
ALOQYFFSHSEVJH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)NC(=O)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.25211
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7613038
LogD (pH = 7.4)
1.7612981
Log P
1.7613039
Molar Refractivity
59.92
Polarizability
23.318855
Polar Surface Area
63.24
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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