Molecule

ID:131417

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey
JFDUCKCMZFPKND-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(Cc2c1cccc2)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C1Cc2ccccc2C(=O)O1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6008515
LogD (pH = 7.4)
3.6008515
Log P
3.6008515
Molar Refractivity
65.6757
Polarizability
25.45588
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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