Molecule
ID:83852
General Information
Molecular Formula
C₃₀H₂₂O₃
Molecular Mass
430.49388
Exact Mass
430.15689456
Charge
0
InChI
InChI=1S/C30H22O3/c31-28(30-29(33-30)25-16-8-13-21-11-4-6-14-23(21)25)27-24-15-7-5-12-22(24)17-18-26(27)32-19-20-9-2-1-3-10-20/h1-18,29-30H,19H2
InChIKey
LOBFDLUNBQVSCS-UHFFFAOYSA-N
Canonic Smiles
O=C(C1OC1c1cccc2c1cccc2)c1c(OCc2ccccc2)ccc2c1cccc2
Isomeric Smiles
O1C(C1c1c2c(ccc1)cccc2)C(=O)c1c2c(ccc1OCc1ccccc1)cccc2
Calculated Properties
JChem
Acid pKa
14.962238
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.7271986
LogD (pH = 7.4)
6.7271986
Log P
6.7271986
Molar Refractivity
128.9495
Polarizability
52.75104
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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