Molecule

ID:57515

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClN₃S
Molecular Mass
149.60196
Exact Mass
148.98144582
Charge
0
InChI
InChI=1S/C3H4ClN3S/c1-8-3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChIKey
OHSLSIPPSDHLTR-UHFFFAOYSA-N
Canonic Smiles
CSc1n[nH]c(n1)Cl
Isomeric Smiles
[nH]1nc(nc1Cl)SC
Calculated Properties
JChem
Acid pKa
6.67561
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7845768
LogD (pH = 7.4)
1.0654205
Log P
1.8119277
Molar Refractivity
36.6503
Polarizability
13.243653
Polar Surface Area
41.57
Rotatable Bonds
1
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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