Molecule

ID:135710

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClKNO₂S
Molecular Mass
243.75228
Exact Mass
242.95230883
Charge
0
InChI
InChI=1S/C7H7ClNO2S.K/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKey
PNUIBIYBMXXKLI-UHFFFAOYSA-N
Canonic Smiles
ClN(S(=O)(=O)c1ccc(cc1)C)[K]
Isomeric Smiles
Cc1ccc(cc1)S(=O)(=O)N(Cl)[K]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9335
LogD (pH = 7.4)
0.9335
Log P
0.9335
Molar Refractivity
47.7934
Polarizability
21.52652
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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