Molecule

ID:75343

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃S₃
Molecular Mass
177.27102
Exact Mass
176.94891011
Charge
0
InChI
InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKey
WZRRRFSJFQTGGB-UHFFFAOYSA-N
Canonic Smiles
Sc1nc(S)nc(n1)S
Isomeric Smiles
n1c(nc(nc1S)S)S
Calculated Properties
JChem
Acid pKa
7.967522
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.1702888
LogD (pH = 7.4)
2.068555
Log P
2.1717117
Molar Refractivity
46.389
Polarizability
16.916624
Polar Surface Area
38.67
Rotatable Bonds
0
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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