Molecule

ID:116663

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅O
Molecular Mass
151.1261
Exact Mass
151.04940981
Charge
0
InChI
InChI=1S/C5H5N5O/c1-10-4-3(8-9-10)5(11)7-2-6-4/h2H,1H3,(H,6,7,11)
InChIKey
BNVZNWHPIOKGRM-UHFFFAOYSA-N
Canonic Smiles
Cn1nnc2c1nc[nH]c2=O
Isomeric Smiles
c12c(nnn1C)c(=O)[nH]cn2
Calculated Properties
JChem
Acid pKa
8.566476
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7534627
LogD (pH = 7.4)
-0.77840596
Log P
-0.75313264
Molar Refractivity
49.0411
Polarizability
12.871314
Polar Surface Area
72.17
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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