Molecule

ID:17824

General Information
Structure
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-3-8(11(12)13)15-10-7-5-4-6-9(10)14-2/h4-8H,3H2,1-2H3,(H,12,13)
InChIKey
LTKVQAXCKIXYLL-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)Oc1ccccc1OC
Isomeric Smiles
c1(c(cccc1)OC)OC(C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.6163561
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.34759614
LogD (pH = 7.4)
-1.1100885
Log P
2.2271733
Molar Refractivity
54.0869
Polarizability
21.430265
Polar Surface Area
55.76
Rotatable Bonds
5
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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