Molecule

ID:85525

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₃
Molecular Mass
252.26468
Exact Mass
252.07864424
Charge
0
InChI
InChI=1S/C16H12O3/c17-14-10-9-13-12(14)7-4-8-15(13)19-16(18)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey
VZMQQMAQHFBMGN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Oc1cccc2c1CCC2=O
Isomeric Smiles
O(c1c2c(ccc1)C(=O)CC2)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.479452
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4979913
LogD (pH = 7.4)
3.4979913
Log P
3.4979913
Molar Refractivity
71.5286
Polarizability
27.320566
Polar Surface Area
43.37
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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