Molecule

ID:91717

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c1-18-15(17)12-7-4-6-11(9-12)14-8-3-2-5-13(14)10-16/h2-10H,1H3
InChIKey
XNKYEDLHAYGZJP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ccccc1C=O
Isomeric Smiles
O=Cc1ccccc1c1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3364506
LogD (pH = 7.4)
3.3364506
Log P
3.3364506
Molar Refractivity
69.8035
Polarizability
27.608305
Polar Surface Area
43.37
Rotatable Bonds
4
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
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References
Bioactivity
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