Molecule
ID:57478
General Information
Molecular Formula
C₄H₃ClN₂S
Molecular Mass
146.59802
Exact Mass
145.97054679
Charge
0
InChI
InChI=1S/C4H3ClN2S/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey
ABQHEWLZYZQXHY-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(nn1)Cl
Isomeric Smiles
n1c(ccc(n1)S)Cl
Calculated Properties
JChem
Acid pKa
6.338246
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.231191
LogD (pH = 7.4)
0.34576017
Log P
1.28769
Molar Refractivity
37.9538
Polarizability
13.595846
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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