Molecule

ID:30124

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-6-8-4-3-7(14-2)5-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
CQZZSFNTQLCLJF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(c2C)C(=O)O
Isomeric Smiles
c1(oc2c(c1C)ccc(c2)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
2.942499
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.44898212
LogD (pH = 7.4)
-1.4153287
Log P
2.0657034
Molar Refractivity
53.5372
Polarizability
21.328964
Polar Surface Area
59.67
Rotatable Bonds
2
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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