Molecule

ID:50090

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-8(2)10-6-9(7-12)4-5-11(10)13-3/h4-8H,1-3H3
InChIKey
FLUXMXNLUOSZPT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(C)C)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.773086
LogD (pH = 7.4)
2.773086
Log P
2.773086
Molar Refractivity
53.296
Polarizability
20.184668
Polar Surface Area
26.3
Rotatable Bonds
3
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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