Molecule

ID:21858

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-2-14-7-8-15-10-6-4-3-5-9(10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
QKQIDUFDIUHVFF-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1C(=O)O
Isomeric Smiles
c1(C(=O)O)c(OCCOCC)cccc1
Calculated Properties
JChem
Acid pKa
3.715948
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.0909144E-4
LogD (pH = 7.4)
-1.5159879
Log P
1.7829899
Molar Refractivity
55.5695
Polarizability
21.41869
Polar Surface Area
55.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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