Molecule

ID:78666

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O
Molecular Mass
272.34044
Exact Mass
272.12011513
Charge
0
InChI
InChI=1S/C20H16O/c1-15-9-11-18(12-10-15)20(21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-14H,1H3
InChIKey
FWCCLQQDGFXYFH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1cccc2c1cccc2
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
16.817404
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.3932233
LogD (pH = 7.4)
5.3932233
Log P
5.3932233
Molar Refractivity
88.3684
Polarizability
34.788025
Polar Surface Area
17.07
Rotatable Bonds
3
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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