Molecule

ID:80059

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈O₂
Molecular Mass
338.39852
Exact Mass
338.13067982
Charge
0
InChI
InChI=1S/C24H18O2/c1-26-20-10-6-9-19(16-20)24(25)14-13-23-21-11-4-2-7-17(21)15-18-8-3-5-12-22(18)23/h2-16H,1H3
InChIKey
ZTGGZWGYZYLMOH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)/C=C/c1c2ccccc2cc2c1cccc2
Isomeric Smiles
O=C(c1cc(ccc1)OC)/C=C/c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
Acid pKa
16.298918
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7116075
LogD (pH = 7.4)
5.7116075
Log P
5.7116075
Molar Refractivity
106.2406
Polarizability
43.096703
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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