Molecule

ID:111487

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKey
VUGQIIQFXCXZJU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=O)C
Isomeric Smiles
COc1cc(cc(OC)c1OC)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.06
LogD (pH = 5.5)
1.06
Log P
1.06
Rotatable Bonds
4
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
16.01
Polar Surface Area
44.76
Polarizability
21.83
Molar Refractivity
55.85
LOG S
-1.86
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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