Molecule

ID:78412

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O
Molecular Mass
108.09806
Exact Mass
108.03236276
Charge
0
InChI
InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H
InChIKey
DXBWJLDFSICTIH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnccn1
Isomeric Smiles
n1c(cncc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.07505424
LogD (pH = 7.4)
-0.075053595
Log P
-0.07505359
Molar Refractivity
27.943
Polarizability
10.462588
Polar Surface Area
42.85
Rotatable Bonds
1
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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