Molecule

ID:33265

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂O₃S
Molecular Mass
246.67078
Exact Mass
245.98659077
Charge
0
InChI
InChI=1S/C8H7ClN2O3S/c9-4-8-11-6-3-5(15(10,12)13)1-2-7(6)14-8/h1-3H,4H2,(H2,10,12,13)
InChIKey
UXYMOZDZJCWLMB-UHFFFAOYSA-N
Canonic Smiles
ClCc1oc2c(n1)cc(cc2)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc2nc(oc2cc1)CCl)N
Calculated Properties
JChem
Acid pKa
9.873156
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5862884
LogD (pH = 7.4)
0.5850128
Log P
0.5863047
Molar Refractivity
54.0749
Polarizability
22.86038
Polar Surface Area
86.19
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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