Molecule

ID:111952

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅O
Molecular Mass
151.1261
Exact Mass
151.04940981
Charge
0
InChI
InChI=1S/C5H5N5O/c1-3-2-4(11)10-5(6-3)7-8-9-10/h2,11H,1H3
InChIKey
LSWDNLDYKNRURG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)n2c(n1)nnn2
Isomeric Smiles
Cc1nc2nnnn2c(O)c1
Calculated Properties
JChem
Acid pKa
7.4877515
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.23310015
LogD (pH = 7.4)
-0.29651722
Log P
-0.23222607
Molar Refractivity
48.8297
Polarizability
13.17463
Polar Surface Area
76.2
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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