Molecule

ID:86151

General Information
Structure
Molecular Formula
C₁₉H₁₆O₃
Molecular Mass
292.32854
Exact Mass
292.10994437
Charge
0
InChI
InChI=1S/C19H16O3/c1-13-3-7-17(22-13)9-10-19(20)16-5-4-15-12-18(21-2)8-6-14(15)11-16/h3-12H,1-2H3
InChIKey
GQCKAJCHFXQXBQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(c2)C(=O)/C=C/c1ccc(o1)C
Isomeric Smiles
o1c(ccc1C)/C=C/C(=O)c1ccc2cc(ccc2c1)OC
Calculated Properties
JChem
Acid pKa
15.168603
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9819388
LogD (pH = 7.4)
3.9819388
Log P
3.9819388
Molar Refractivity
87.331
Polarizability
34.014957
Polar Surface Area
39.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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