Molecule

ID:88110

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c1-11(16)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
PPNGALBGZJBTRY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)C(=O)C)c1ccccc1
Isomeric Smiles
O=C(c1cc(ccc1)C(=O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.901761
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9902463
LogD (pH = 7.4)
2.9902463
Log P
2.9902463
Molar Refractivity
67.0363
Polarizability
25.725529
Polar Surface Area
34.14
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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