Molecule

ID:85504

General Information
Structure
Molecular Formula
C₃₂H₂₂O₄
Molecular Mass
470.51468
Exact Mass
470.15180918
Charge
0
InChI
InChI=1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H
InChIKey
NWJVKSITTJQWCG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Oc1ccccc1)c1ccc(cc1)C(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.892526
LogD (pH = 7.4)
7.892526
Log P
7.892526
Molar Refractivity
139.6906
Polarizability
54.333576
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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