Molecule

ID:6197

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(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
InChIKey
ZMXJAEGJWHJMGX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)c(c(c1)OC)O
Isomeric Smiles
O=C(OC)c1cc(OC)c(c(c1)OC)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.32
LogD (pH = 5.5)
1.36
Log P
1.36
Rotatable Bonds
4
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.44
Polar Surface Area
64.99
Polarizability
21.00
Molar Refractivity
52.99
LOG S
-1.37
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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