Molecule

ID:125251

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅
Molecular Mass
135.1267
Exact Mass
135.05449519
Charge
0
InChI
InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKey
MWBWWFOAEOYUST-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc2c(n1)nc[nH]2
Isomeric Smiles
n1cc2c(nc1N)nc[nH]2
Calculated Properties
JChem
LogD (pH = 7.4)
-0.45
LogD (pH = 5.5)
-0.62
Log P
-0.45
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
5.21
Polar Surface Area
80.48
Polarizability
12.50
Molar Refractivity
36.23
LOG S
-1.67
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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