Molecule

ID:65356

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂S
Molecular Mass
174.65118
Exact Mass
174.00184691
Charge
0
InChI
InChI=1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKey
ALMBOXQFPLQVLF-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(C)cc(n1)Cl
Isomeric Smiles
n1c(cc(nc1SC)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3119326
LogD (pH = 7.4)
2.3123257
Log P
2.3123307
Molar Refractivity
45.8848
Polarizability
17.179302
Polar Surface Area
25.78
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
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References
Bioactivity
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