Molecule

ID:85488

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H
InChIKey
UQGMJZQVDNZRKT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1OC1c1ccccc1)c1ccccc1
Isomeric Smiles
O1C(C1c1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.8294325
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1814432
LogD (pH = 7.4)
3.1814432
Log P
3.1814432
Molar Refractivity
64.9733
Polarizability
25.46473
Polar Surface Area
29.6
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
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Molecule Details
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References
Bioactivity
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