Molecule

ID:88976

General Information
Structure
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
InChIKey
CQZXDIHVSPZIGF-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(nc1)C=O
Isomeric Smiles
n1cn(cc1C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.38345772
LogD (pH = 7.4)
0.4643391
Log P
0.46549731
Molar Refractivity
30.1083
Polarizability
10.83235
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
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References
Bioactivity
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