Molecule

ID:82990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKey
QCXJFLREQGIACT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)occ2CC(=O)O
Isomeric Smiles
o1cc(c2c1cc(cc2)OC)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.340537
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.42574522
LogD (pH = 7.4)
-1.3206663
Log P
1.6124462
Molar Refractivity
52.6699
Polarizability
21.416258
Polar Surface Area
59.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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