Molecule

ID:85194

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN₃S
Molecular Mass
173.62336
Exact Mass
172.98144582
Charge
0
InChI
InChI=1S/C5H4ClN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3
InChIKey
BWXNNMPUFJNWOP-UHFFFAOYSA-N
Canonic Smiles
Clc1cn2c(n1)sc(n2)C
Isomeric Smiles
n12c(nc(c1)Cl)sc(n2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8593764
LogD (pH = 7.4)
1.8593997
Log P
1.8594
Molar Refractivity
61.9159
Polarizability
14.95578
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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