Molecule

ID:26145

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-3-20-16-10-13(11-18)6-9-15(16)21-17(19)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3
InChIKey
HDGNEDYQYJBPAQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(=O)c1ccc(cc1)C
Isomeric Smiles
C(=O)(Oc1c(cc(C=O)cc1)OCC)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0597415
LogD (pH = 7.4)
4.0597415
Log P
4.0597415
Molar Refractivity
80.6979
Polarizability
30.496586
Polar Surface Area
52.6
Rotatable Bonds
6
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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