Molecule

ID:90393

General Information
Structure
MolImage
Molecular Formula
C₄H₂N₂O
Molecular Mass
94.07148
Exact Mass
94.01671269
Charge
0
InChI
InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H
InChIKey
UEEBKQWDBWDPKD-UHFFFAOYSA-N
Canonic Smiles
c1ocnc1C#N
Isomeric Smiles
o1cc(nc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.15708372
LogD (pH = 7.4)
0.15708372
Log P
0.15708372
Molar Refractivity
22.117
Polarizability
8.222322
Polar Surface Area
49.82
Rotatable Bonds
0
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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