Molecule

ID:118892

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂S
Molecular Mass
212.69916
Exact Mass
212.01749698
Charge
0
InChI
InChI=1S/C9H9ClN2S/c1-4-5(2)13-9-7(4)8(10)11-6(3)12-9/h1-3H3
InChIKey
HDOQGBZKVBVNLU-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)c2c(n1)sc(c2C)C
Isomeric Smiles
c12c(sc(c2C)C)nc(nc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.79871
LogD (pH = 7.4)
3.798722
Log P
3.7987223
Molar Refractivity
56.603
Polarizability
21.301136
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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