Molecule

ID:111001

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
InChIKey
NBFNGRDFKUJVIN-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
O=C(Oc1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.173272
LogD (pH = 7.4)
4.173272
Log P
4.173272
Molar Refractivity
67.6066
Polarizability
26.046354
Polar Surface Area
26.3
Rotatable Bonds
4
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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