Molecule

ID:16938

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c13-9-10-4-3-7-12(8-10)14-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2
InChIKey
WWUQYSHWTLWESE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC1CCCC1
Isomeric Smiles
c1(OC2CCCC2)cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8827786
LogD (pH = 7.4)
2.8827786
Log P
2.8827786
Molar Refractivity
55.5184
Polarizability
21.375334
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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