Molecule

ID:21753

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKey
UQAATGIOFSGRDA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c(c1)OCC)C(=O)O
Isomeric Smiles
c1(c(cc(cc1)OCC)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0137243
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.53279215
LogD (pH = 7.4)
-1.1220431
Log P
2.029102
Molar Refractivity
55.7378
Polarizability
21.402657
Polar Surface Area
55.76
Rotatable Bonds
5
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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