Molecule

ID:125113

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃
Molecular Mass
81.07602
Exact Mass
81.03269711
Charge
0
InChI
InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N
Canonic Smiles
n1cncnc1
Isomeric Smiles
n1cncnc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.14
LogD (pH = 5.5)
-0.14
Log P
-0.14
Rotatable Bonds
0
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-1.18
Polar Surface Area
38.67
Polarizability
7.00
Molar Refractivity
22.52
LOG S
-0.67
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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