Molecule

ID:11204

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
UIUCGMLLTRXRBF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1ccccc1C(=O)O
Isomeric Smiles
c1(C(=O)c2ccc(cc2)OC)c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.493679
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9347597
LogD (pH = 7.4)
-0.44475302
Log P
2.9325106
Molar Refractivity
70.3529
Polarizability
26.822548
Polar Surface Area
63.6
Rotatable Bonds
4
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
Molecule Details
References
Bioactivity
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