Molecule

ID:52852

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChIKey
BNYKZFOZWZMEJD-UHFFFAOYSA-N
Canonic Smiles
Cn1cncc1C=O
Isomeric Smiles
n1cn(c(c1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.42938066
LogD (pH = 7.4)
-0.29143584
Log P
-0.28904468
Molar Refractivity
30.371
Polarizability
10.830178
Polar Surface Area
34.89
Rotatable Bonds
1
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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