Molecule

ID:84865

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-20-13-8-9-14(16(19)11-13)15(18)10-7-12-5-3-4-6-17(12)21-2/h3-11,19H,1-2H3
InChIKey
YSOOAJSZRVJKCW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1OC
Isomeric Smiles
O=C(c1c(cc(cc1)OC)O)/C=C/c1c(cccc1)OC
Calculated Properties
JChem
Acid pKa
8.104518
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9203475
LogD (pH = 7.4)
3.8438091
Log P
3.9214175
Molar Refractivity
81.7843
Polarizability
30.969835
Polar Surface Area
55.76
Rotatable Bonds
5
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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