Molecule

ID:76463

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂O₂
Molecular Mass
284.30808
Exact Mass
284.08372962
Charge
0
InChI
InChI=1S/C20H12O2/c21-11-18-15-7-3-4-8-16(15)19(12-22)20-14-6-2-1-5-13(14)9-10-17(18)20/h1-12H
InChIKey
VUJRBHIBORKESK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccc3c(c2c(c2c1cccc2)C=O)cccc3
Isomeric Smiles
O=Cc1c2c3ccccc3ccc2c(c2ccccc12)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3666806
LogD (pH = 7.4)
4.3666806
Log P
4.3666806
Molar Refractivity
88.5766
Polarizability
36.93667
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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