Molecule

ID:108192

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅O
Molecular Mass
151.1261
Exact Mass
151.04940981
Charge
0
InChI
InChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2,11H,6H2
InChIKey
FSEXIIUMRZGIDN-UHFFFAOYSA-N
Canonic Smiles
On1cnc2c(c1N)ncn2
Isomeric Smiles
Nc1c2ncnc2ncn1O
Calculated Properties
JChem
Acid pKa
10.294998
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.3945005
LogD (pH = 7.4)
-1.395043
Log P
-1.3944926
Molar Refractivity
40.0851
Polarizability
14.024338
Polar Surface Area
89.85
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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