Molecule

ID:83284

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₅
Molecular Mass
312.31664
Exact Mass
312.09977361
Charge
0
InChI
InChI=1S/C18H16O5/c1-20-15-8-5-13(10-17(15)21-2)14(19)6-3-12-4-7-16-18(9-12)23-11-22-16/h3-10H,11H2,1-2H3
InChIKey
FBXJBLNGPPHWDT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2cc(ccc2OC1)/C=C/C(=O)c1ccc(c(c1)OC)OC
Calculated Properties
JChem
Acid pKa
16.945663
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.1982162
LogD (pH = 7.4)
3.1982162
Log P
3.1982162
Molar Refractivity
85.5703
Polarizability
32.834988
Polar Surface Area
53.99
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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