Molecule

ID:25895

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)11(7-10)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
JGWAODQUCDFPGI-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c(c1)OCC)C=O
Isomeric Smiles
c1(c(ccc(c1)OCC)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0840216
LogD (pH = 7.4)
2.0840216
Log P
2.0840216
Molar Refractivity
55.0656
Polarizability
20.942436
Polar Surface Area
35.53
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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