Molecule

ID:19199

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₃S₂
Molecular Mass
254.71438
Exact Mass
253.95866177
Charge
0
InChI
InChI=1S/C6H7ClN2O3S2/c1-3-5(14(7,11)12)13-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChIKey
NXGKPRKPUCSEIL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1nc(c(s1)S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)sc(nc1C)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.581235
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7976647
LogD (pH = 7.4)
0.79739636
Log P
0.79766816
Molar Refractivity
53.5483
Polarizability
21.140972
Polar Surface Area
76.13
Rotatable Bonds
2
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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