Molecule

ID:84873

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₄O₃
Molecular Mass
326.34476
Exact Mass
326.09429431
Charge
0
InChI
InChI=1S/C22H14O3/c23-20(19-14-25-21-8-4-3-7-18(21)22(19)24)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-14H
InChIKey
XUONVUDEWQZQTR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1coc2c(c1=O)cccc2)/C=C/c1ccc2c(c1)cccc2
Isomeric Smiles
o1cc(c(=O)c2c1cccc2)C(=O)/C=C/c1cc2ccccc2cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.935258
LogD (pH = 7.4)
4.935258
Log P
4.935258
Molar Refractivity
97.7799
Polarizability
38.191242
Polar Surface Area
43.37
Rotatable Bonds
3
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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