Molecule

ID:78683

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₅
Molecular Mass
322.31146
Exact Mass
322.08412355
Charge
0
InChI
InChI=1S/C19H14O5/c20-15(5-1-13-3-7-16-18(9-13)23-11-21-16)6-2-14-4-8-17-19(10-14)24-12-22-17/h1-10H,11-12H2
InChIKey
UHDVKUQJNWLHLT-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccc2c(c1)OCO2)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)/C=C/c2cc3c(cc2)OCO3)OC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.071611
LogD (pH = 7.4)
4.071611
Log P
4.071611
Molar Refractivity
88.561
Polarizability
33.79395
Polar Surface Area
53.99
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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