Molecule

ID:108043

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O
Molecular Mass
170.29178
Exact Mass
170.16706532
Charge
0
InChI
InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)CC
Isomeric Smiles
CCCCCCCCC(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1747637
LogD (pH = 7.4)
4.1747637
Log P
4.1747637
Molar Refractivity
53.0546
Polarizability
21.078753
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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