Molecule

ID:131086

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅
Molecular Mass
135.1267
Exact Mass
135.05449519
Charge
0
InChI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey
GFFGJBXGBJISGV-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1nc[nH]2
Isomeric Smiles
c1[nH]c2c(n1)c(ncn2)N
Calculated Properties
JChem
Acid pKa
9.903183
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.70830727
LogD (pH = 7.4)
-0.53768605
Log P
-0.5310127
Molar Refractivity
36.5993
Polarizability
13.358205
Polar Surface Area
80.48
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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