Molecule

ID:25909

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7,9H,8H2,1-2H3
InChIKey
PWASYRSZCSTUIW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCC(C)C
Isomeric Smiles
O=Cc1ccc(OCC(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.77238
LogD (pH = 7.4)
2.77238
Log P
2.77238
Molar Refractivity
52.8494
Polarizability
20.263044
Polar Surface Area
26.3
Rotatable Bonds
4
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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