Molecule

ID:28409

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆O₂
Molecular Mass
312.36124
Exact Mass
312.11502975
Charge
0
InChI
InChI=1S/C22H16O2/c23-15-19-21(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24-22(19)17-11-5-2-6-12-17/h1-15,21H
InChIKey
OBQFMXJVCSSDCG-UHFFFAOYSA-N
Canonic Smiles
O=CC1=C(Oc2c(C1c1ccccc1)cccc2)c1ccccc1
Isomeric Smiles
C1(=C(Oc2c(C1c1ccccc1)cccc2)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.449276
LogD (pH = 7.4)
4.449276
Log P
4.449276
Molar Refractivity
95.9254
Polarizability
36.772823
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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