Molecule

ID:109806

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
InChIKey
LRRQSCPPOIUNGX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)C(c1ccc(cc1)OC)O
Isomeric Smiles
COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
Calculated Properties
JChem
Acid pKa
12.643619
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.334732
LogD (pH = 7.4)
2.3347297
Log P
2.334732
Molar Refractivity
75.4473
Polarizability
29.302364
Polar Surface Area
55.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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