Molecule

ID:72118

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-13-9-5-7(11(12)14-2)6-10-8(9)3-4-15-10/h3-6H,1-2H3
InChIKey
STRGGTSNBAPOSA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)c2c(c1)occ2
Isomeric Smiles
c12c(cc(C(=O)OC)cc1OC)occ2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9781749
LogD (pH = 7.4)
1.9781749
Log P
1.9781749
Molar Refractivity
53.3876
Polarizability
21.65028
Polar Surface Area
48.67
Rotatable Bonds
3
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
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References
Bioactivity
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