Molecule

ID:24716

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃OS
Molecular Mass
205.66522
Exact Mass
205.00766057
Charge
0
InChI
InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKey
LAUCCQWGVCJGFT-UHFFFAOYSA-N
Canonic Smiles
Clc1nsnc1N1CCOCC1
Isomeric Smiles
c1(c(nsn1)Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.663919
LogD (pH = 7.4)
1.6639203
Log P
1.6639203
Molar Refractivity
50.5169
Polarizability
17.87942
Polar Surface Area
38.25
Rotatable Bonds
1
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
References
Bioactivity
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