Molecule

ID:107399

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h1-10,17-18H
InChIKey
FZKAPSZEPRQQGK-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1/N=C/C=N/c1ccccc1O
Isomeric Smiles
Oc1ccccc1/N=C/C=N/c1ccccc1O
Calculated Properties
JChem
Acid pKa
7.9611588
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.7112563
LogD (pH = 7.4)
3.6018488
Log P
3.7127879
Molar Refractivity
74.0144
Polarizability
26.22966
Polar Surface Area
65.18
Rotatable Bonds
3
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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