Molecule

ID:102445

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₆O₇
Molecular Mass
416.37964
Exact Mass
416.08960285
Charge
0
InChI
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
InChIKey
CHADEQDQBURGHL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)C
Isomeric Smiles
CC(=O)Oc1ccc2c(Oc3c(ccc(OC(=O)C)c3)C32OC(=O)c2c3cccc2)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7019954
LogD (pH = 7.4)
3.7019954
Log P
3.7019954
Molar Refractivity
109.5231
Polarizability
42.07508
Polar Surface Area
88.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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