Molecule

ID:33448

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃OS
Molecular Mass
195.6704
Exact Mass
195.02331064
Charge
0
InChI
InChI=1S/C5H9N3OS.ClH/c1-10-3-4-7-5(2-6)9-8-4;/h2-3,6H2,1H3;1H
InChIKey
UPQPIBTZGYRNRA-UHFFFAOYSA-N
Canonic Smiles
CSCc1noc(n1)CN.Cl
Isomeric Smiles
n1c(noc1CN)CSC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4451671
LogD (pH = 7.4)
-0.020686015
Log P
0.15587138
Molar Refractivity
41.5791
Polarizability
15.590888
Polar Surface Area
64.94
Rotatable Bonds
3
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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