Molecule

ID:127893

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₅
Molecular Mass
222.1941
Exact Mass
222.05282342
Charge
0
InChI
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
InChIKey
HOEVRHHMDJKUMZ-UHFFFAOYSA-N
Canonic Smiles
COc1c(O)c(OC)cc2c1oc(=O)cc2
Isomeric Smiles
O=c1oc2c(OC)c(O)c(OC)cc2cc1
Calculated Properties
JChem
Acid pKa
7.7685647
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.162136
LogD (pH = 7.4)
1.011149
Log P
1.1644517
Molar Refractivity
56.4559
Polarizability
21.411703
Polar Surface Area
64.99
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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