Molecule

ID:111935

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈O₂
Molecular Mass
194.27012
Exact Mass
194.13067982
Charge
0
InChI
InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12?/m1/s1
InChIKey
YTHRBOFHFYZBRJ-JHJMLUEUSA-N
Canonic Smiles
CC(=O)OC1C[C@@H](CC=C1C)C(=C)C
Isomeric Smiles
O=C(OC1C(=CC[C@@H](C(=C)C)C1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.430127
LogD (pH = 7.4)
2.430127
Log P
2.430127
Molar Refractivity
57.1473
Polarizability
22.385462
Polar Surface Area
26.3
Rotatable Bonds
3
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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