Molecule

ID:88167

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-4-10-7-8-11(13-5-2)12(9-10)14-6-3/h1,7-9H,5-6H2,2-3H3
InChIKey
XFLXRFSUHXIIKO-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C#C)ccc1OCC
Isomeric Smiles
O(c1c(cc(cc1)C#C)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5223546
LogD (pH = 7.4)
2.5223546
Log P
2.5223546
Molar Refractivity
53.6539
Polarizability
21.62359
Polar Surface Area
18.46
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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