Molecule

ID:53953

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂S
Molecular Mass
148.6139
Exact Mass
147.98619685
Charge
0
InChI
InChI=1S/C4H5ClN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3
InChIKey
XDMQUGBVBORFEY-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(c1Cl)N
Isomeric Smiles
c1(Cl)c(C)nsc1N
Calculated Properties
JChem
Acid pKa
17.400232
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0043175
LogD (pH = 7.4)
1.0152036
Log P
1.0153441
Molar Refractivity
35.2556
Polarizability
13.021814
Polar Surface Area
38.91
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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