Molecule

ID:110385

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O
Molecular Mass
180.2866
Exact Mass
180.15141526
Charge
0
InChI
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3
InChIKey
QKTZBZWNADPFOL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC/C=C/C=C/C=O
Isomeric Smiles
CCCCCCC/C=C/C=C/C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9555936
LogD (pH = 7.4)
3.9555936
Log P
3.9555936
Molar Refractivity
59.9641
Polarizability
22.456226
Polar Surface Area
17.07
Rotatable Bonds
8
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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