Molecule
ID:83842
General Information
Molecular Formula
C₂₄H₂₂O₅
Molecular Mass
390.42848
Exact Mass
390.1467238
Charge
0
InChI
InChI=1S/C24H22O5/c1-26-20-14-8-12-18(22(20)27-2)23-24(29-23)21(25)17-11-6-7-13-19(17)28-15-16-9-4-3-5-10-16/h3-14,23-24H,15H2,1-2H3
InChIKey
HSKMFDCQHIEQDI-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cccc1C1OC1C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O1C(C1c1cccc(c1OC)OC)C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.857811
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.432903
LogD (pH = 7.4)
4.432903
Log P
4.432903
Molar Refractivity
108.9755
Polarizability
42.599464
Polar Surface Area
57.29
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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