Molecule

ID:83573

General Information
Structure
MolImage
Molecular Formula
C₃₂H₂₂O₂
Molecular Mass
438.51588
Exact Mass
438.16197994
Charge
0
InChI
InChI=1S/C32H22O2/c33-29(28-13-4-5-15-30(28)34-21-22-8-2-1-3-9-22)19-18-25-20-26-12-6-10-23-16-17-24-11-7-14-27(25)32(24)31(23)26/h1-20H,21H2
InChIKey
UWKXWDDLKZWNKW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/c1cc2cccc3c2c2c1cccc2cc3
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1cc2cccc3ccc4c(c23)c1ccc4)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.102957
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.767809
LogD (pH = 7.4)
7.767809
Log P
7.767809
Molar Refractivity
138.6174
Polarizability
56.92416
Polar Surface Area
26.3
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
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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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