Molecule

ID:64323

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂S
Molecular Mass
160.6246
Exact Mass
159.98619685
Charge
0
InChI
InChI=1S/C5H5ClN2S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKey
BMQSAIGMUNXTKZ-UHFFFAOYSA-N
Canonic Smiles
CSc1cc(Cl)ncn1
Isomeric Smiles
n1c(cc(nc1)Cl)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0966024
LogD (pH = 7.4)
2.0966315
Log P
2.096632
Molar Refractivity
41.6608
Polarizability
15.408222
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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