Molecule

ID:65881

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClN₃S
Molecular Mass
195.62888
Exact Mass
194.96579576
Charge
0
InChI
InChI=1S/C7H2ClN3S/c8-7-10-4-1-2-12-6(4)5(3-9)11-7/h1-2H
InChIKey
GRVHCZYQBHHSLD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)nc2c1scc2
Isomeric Smiles
c1(c2c(nc(n1)Cl)ccs2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4621074
LogD (pH = 7.4)
2.4621074
Log P
2.4621074
Molar Refractivity
46.5386
Polarizability
18.597593
Polar Surface Area
49.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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