Molecule

ID:7359

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-3-15-9-5-4-8(7-11(12)13)6-10(9)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKey
XVNXRPVJRCYHEW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1OC)CC(=O)O
Isomeric Smiles
c1c(c(cc(c1)CC(=O)O)OC)OCC
Calculated Properties
JChem
Acid pKa
3.9705005
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.11463578
LogD (pH = 7.4)
-1.5232855
Log P
1.6524595
Molar Refractivity
55.0406
Polarizability
21.42693
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
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Molecule Details
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References
Bioactivity
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