Molecule

ID:57522

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂OS
Molecular Mass
178.63988
Exact Mass
177.99676153
Charge
0
InChI
InChI=1S/C5H7ClN2OS/c1-10-3-4-7-5(2-6)9-8-4/h2-3H2,1H3
InChIKey
PIGMOPKKZYRENN-UHFFFAOYSA-N
Canonic Smiles
CSCc1noc(n1)CCl
Isomeric Smiles
o1nc(nc1CCl)CSC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6425451
LogD (pH = 7.4)
1.6425451
Log P
1.6425451
Molar Refractivity
42.9726
Polarizability
15.966844
Polar Surface Area
38.92
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
References
Bioactivity
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