Molecule

ID:70871

General Information
Structure
MolImage
Molecular Formula
C₂H₂ClN₃S
Molecular Mass
135.57538
Exact Mass
134.96579576
Charge
0
InChI
InChI=1S/C2H2ClN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
InChIKey
OPGJORQBYBKWNH-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)Cl
Isomeric Smiles
Nc1sc(nn1)Cl
Calculated Properties
JChem
Acid pKa
14.256036
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.51762956
LogD (pH = 7.4)
0.5176302
Log P
0.5176303
Molar Refractivity
30.5888
Polarizability
10.604682
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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