Molecule

ID:112055

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-5-6(2)11(14)15-10-4-9(13)8(12)3-7(5)10/h3-4,12-13H,1-2H3
InChIKey
PXTMNPOEAJPRQE-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2c(cc1O)oc(=O)c(c2C)C
Isomeric Smiles
Cc1c(C)c2c(oc1=O)cc(O)c(O)c2
Calculated Properties
JChem
Acid pKa
7.8602552
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8692969
LogD (pH = 7.4)
1.7430167
Log P
1.8711741
Molar Refractivity
54.1495
Polarizability
20.619865
Polar Surface Area
66.76
Rotatable Bonds
0
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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