Molecule

ID:10158

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂S
Molecular Mass
222.69244
Exact Mass
222.02297628
Charge
0
InChI
InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
InChIKey
QVCMFSJTNVQJFG-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)S(=O)(=O)C.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)NN)C.Cl
Calculated Properties
JChem
Acid pKa
18.372124
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.14005873
LogD (pH = 7.4)
0.20431304
Log P
0.20519696
Molar Refractivity
49.7683
Polarizability
18.888123
Polar Surface Area
72.19
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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