Molecule

ID:89447

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₄
Molecular Mass
198.21576
Exact Mass
198.08920893
Charge
0
InChI
InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
InChIKey
QPHLRCUCFDXGLY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CO)cc(c1OC)OC
Isomeric Smiles
O(c1c(c(cc(c1)CO)OC)OC)C
Calculated Properties
JChem
Acid pKa
14.882526
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.73288226
LogD (pH = 7.4)
0.73288226
Log P
0.73288226
Molar Refractivity
52.2635
Polarizability
20.364618
Polar Surface Area
47.92
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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