Molecule
ID:83851
General Information
Molecular Formula
C₂₆H₂₀O₃
Molecular Mass
380.4352
Exact Mass
380.1412445
Charge
0
InChI
InChI=1S/C26H20O3/c27-24(26-25(29-26)20-12-5-2-6-13-20)23-21-14-8-7-11-19(21)15-16-22(23)28-17-18-9-3-1-4-10-18/h1-16,25-26H,17H2
InChIKey
HGNVDMRTMKAERM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(OCc2ccccc2)ccc2c1cccc2)C1OC1c1ccccc1
Isomeric Smiles
O1C(C1c1ccccc1)C(=O)c1c2c(ccc1OCc1ccccc1)cccc2
Calculated Properties
JChem
Acid pKa
15.141682
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.737722
LogD (pH = 7.4)
5.737722
Log P
5.737722
Molar Refractivity
112.4993
Polarizability
45.151627
Polar Surface Area
38.83
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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