Molecule

ID:109178

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H
InChIKey
JJZONEUCDUQVGR-UHFFFAOYSA-N
Canonic Smiles
O/N=C(\C(=N\O)\c1ccccc1)/c1ccccc1
Isomeric Smiles
O/N=C(/c1ccccc1)\C(=N\O)\c1ccccc1
Calculated Properties
JChem
Acid pKa
6.3029575
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2004483
LogD (pH = 7.4)
2.1554136
Log P
3.2636862
Molar Refractivity
69.7162
Polarizability
26.410017
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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