Molecule

ID:109006

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey
RVPTTWAAIKMYAH-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)COC(=O)C
Isomeric Smiles
CC(COC(=O)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3006556
LogD (pH = 7.4)
2.3006556
Log P
2.3006556
Molar Refractivity
51.252
Polarizability
20.299007
Polar Surface Area
26.3
Rotatable Bonds
4
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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