Molecule

ID:44198

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKey
DMJDEZUEYXVYNO-DHZHZOJOSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1ccc(c2ccccc2)cc1)O
Calculated Properties
JChem
Acid pKa
4.573756
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8095093
LogD (pH = 7.4)
1.0348954
Log P
3.7833116
Molar Refractivity
68.1961
Polarizability
27.20789
Polar Surface Area
37.3
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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