Molecule

ID:44095

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃S
Molecular Mass
115.1569
Exact Mass
115.02041818
Charge
0
InChI
InChI=1S/C3H5N3S/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)
InChIKey
DJKUIGPCSNRFRK-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(n1)N
Isomeric Smiles
n1c(snc1C)N
Calculated Properties
JChem
Acid pKa
14.452431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5987194
LogD (pH = 7.4)
0.5996009
Log P
0.59961224
Molar Refractivity
29.8778
Polarizability
10.229846
Polar Surface Area
51.8
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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