Molecule

ID:76440

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₅
Molecular Mass
212.19928
Exact Mass
212.06847348
Charge
0
InChI
InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey
SJSOFNCYXJUNBT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=O)O
Isomeric Smiles
OC(=O)c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-2.05
LogD (pH = 5.5)
-0.43
Log P
1.16
Rotatable Bonds
4
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.92
Polar Surface Area
64.99
Polarizability
20.76
Molar Refractivity
52.70
LOG S
-1.60
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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