Molecule

ID:37242

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-11-6-3-4-7-12(11)10-20-15-13(16(17)18)8-5-9-14(15)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
AOHFBOMPMUJIAW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccccc1C)C(=O)O
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccccc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4760182
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5386622
LogD (pH = 7.4)
0.17097092
Log P
3.5533807
Molar Refractivity
75.8944
Polarizability
29.046806
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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