Molecule

ID:64253

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂S
Molecular Mass
160.6246
Exact Mass
159.98619685
Charge
0
InChI
InChI=1S/C5H5ClN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
VAATWVRXPRDPPM-UHFFFAOYSA-N
Canonic Smiles
CSc1ccnc(n1)Cl
Isomeric Smiles
n1c(nccc1SC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1809602
LogD (pH = 7.4)
2.1809604
Log P
2.1809604
Molar Refractivity
41.2933
Polarizability
15.467902
Polar Surface Area
25.78
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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