Molecule

ID:105696

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈O₂
Molecular Mass
194.27012
Exact Mass
194.13067982
Charge
0
InChI
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3
InChIKey
UPJFTVFLSIQQAV-UHFFFAOYSA-N
Canonic Smiles
CCCCC1OC(=O)C2=CCCCC12
Isomeric Smiles
CCCCC1OC(=O)C2=CCCCC12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3948777
LogD (pH = 7.4)
3.3948777
Log P
3.3948777
Molar Refractivity
55.7747
Polarizability
21.895538
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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