Molecule

ID:28405

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-20-15-9-8-13(11-16(15)21-2)14(17(18)19)10-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)/b14-10-
InChIKey
IHXYYTMTGDMOPP-UVTDQMKNSA-N
Canonic Smiles
COc1cc(ccc1OC)/C(=C/c1ccccc1)/C(=O)O
Isomeric Smiles
C(=C\c1ccccc1)(/c1cc(c(cc1)OC)OC)\C(=O)O
Calculated Properties
JChem
Acid pKa
3.308345
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3138989
LogD (pH = 7.4)
0.06451156
Log P
3.4888315
Molar Refractivity
80.4384
Polarizability
30.88544
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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