Molecule

ID:69302

General Information
Structure
MolImage
Molecular Formula
CH₅N₃S
Molecular Mass
91.1355
Exact Mass
91.02041818
Charge
0
InChI
InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChIKey
BRWIZMBXBAOCCF-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)N
Isomeric Smiles
NNC(=S)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.77
LogD (pH = 5.5)
-0.78
Log P
-0.77
Rotatable Bonds
0
H Donor
3
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
3.86
Polar Surface Area
64.07
Polarizability
8.53
Molar Refractivity
25.62
LOG S
-0.50
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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