Molecule

ID:28623

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₂S
Molecular Mass
194.63928
Exact Mass
193.99167615
Charge
0
InChI
InChI=1S/C5H7ClN2O2S/c1-3-5(11(6,9)10)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey
NBGSZCQLPLYKJH-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1c([nH]nc1C)C)Cl
Calculated Properties
JChem
Acid pKa
8.28391
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55380505
LogD (pH = 7.4)
0.5027213
Log P
0.5546643
Molar Refractivity
43.6808
Polarizability
16.875568
Polar Surface Area
62.82
Rotatable Bonds
1
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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