Molecule

ID:78370

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)CC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.18
LogD (pH = 5.5)
3.18
Log P
3.18
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.04
Polar Surface Area
34.14
Polarizability
24.01
Molar Refractivity
66.62
LOG S
-3.97
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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