Molecule

ID:76848

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₃S
Molecular Mass
234.66008
Exact Mass
233.98659077
Charge
0
InChI
InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
AZEPYUPSYWCRBG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(N)NS(=O)(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
4.383488
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.08629785
LogD (pH = 7.4)
-0.1013275
Log P
0.83838403
Molar Refractivity
51.2633
Polarizability
20.70011
Polar Surface Area
89.26
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
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References
Bioactivity
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