Molecule

ID:83802

General Information
Structure
Molecular Formula
C₂₂H₁₈O₃
Molecular Mass
330.37652
Exact Mass
330.12559444
Charge
0
InChI
InChI=1S/C22H18O3/c23-19-10-6-9-17(15-19)13-14-21(24)20-11-4-5-12-22(20)25-16-18-7-2-1-3-8-18/h1-15,23H,16H2
InChIKey
BIJOOERTNVCNLU-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1cccc(c1)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
9.405726
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.153508
LogD (pH = 7.4)
5.149322
Log P
5.153562
Molar Refractivity
99.9337
Polarizability
38.071526
Polar Surface Area
46.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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