Molecule

ID:132514

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
QNOXYUNHIGOWNY-UHFFFAOYSA-N
Canonic Smiles
COc1cc2nc(cnc2cc1OC)c1ccccc1
Isomeric Smiles
COc1cc2c(cc1OC)nc(cn2)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0166352
LogD (pH = 7.4)
3.0168092
Log P
3.0168116
Molar Refractivity
75.141
Polarizability
32.113907
Polar Surface Area
44.24
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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