Molecule

ID:79994

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₂
Molecular Mass
196.286
Exact Mass
196.14632988
Charge
0
InChI
InChI=1S/C12H20O2/c1-10(13)14-9-12-6-2-4-11(8-12)5-3-7-12/h11H,2-9H2,1H3
InChIKey
AKHOEVQNQZYOEK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC12CCCC(C2)CCC1
Isomeric Smiles
O=C(OCC12CC(CCC1)CCC2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6826944
LogD (pH = 7.4)
2.6826944
Log P
2.6826944
Molar Refractivity
54.9033
Polarizability
22.13721
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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