Molecule

ID:69452

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₅
Molecular Mass
212.19928
Exact Mass
212.06847348
Charge
0
InChI
InChI=1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey
HZNQSWJZTWOTKM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1OC)OC)C(=O)O
Isomeric Smiles
C(=O)(c1c(c(c(cc1)OC)OC)OC)O
Calculated Properties
JChem
Acid pKa
3.8013134
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.54311216
LogD (pH = 7.4)
-2.103964
Log P
1.157815
Molar Refractivity
52.7038
Polarizability
20.300232
Polar Surface Area
64.99
Rotatable Bonds
4
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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