Molecule

ID:110263

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey
VONGZNXBKCOUHB-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OCc1ccccc1
Isomeric Smiles
CCCC(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.792126
LogD (pH = 7.4)
2.792126
Log P
2.792126
Molar Refractivity
51.2533
Polarizability
20.295694
Polar Surface Area
26.3
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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