Molecule

ID:85452

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃S₂
Molecular Mass
147.2219
Exact Mass
146.99248918
Charge
0
InChI
InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)
InChIKey
PCLAZAJARAIGGD-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(s1)N
Isomeric Smiles
s1c(nnc1N)SC
Calculated Properties
JChem
Acid pKa
14.513179
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9160812
LogD (pH = 7.4)
0.91608304
Log P
0.9160831
Molar Refractivity
37.7951
Polarizability
13.380904
Polar Surface Area
51.8
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
References
Bioactivity
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