Molecule

ID:52429

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
IBGXZMNEERGARC-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CCC(=O)O
Isomeric Smiles
C(=O)(CCc1c(cccc1)OCC)O
Calculated Properties
JChem
Acid pKa
4.4032054
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1260735
LogD (pH = 7.4)
-0.6308296
Log P
2.2546995
Molar Refractivity
53.1784
Polarizability
20.724869
Polar Surface Area
46.53
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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