Molecule

ID:111567

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3
InChIKey
LZWYWAIOTBEZFN-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OC=C
Isomeric Smiles
CCCCCC(=O)OC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4614646
LogD (pH = 7.4)
2.4614646
Log P
2.4614646
Molar Refractivity
39.5349
Polarizability
15.986376
Polar Surface Area
26.3
Rotatable Bonds
6
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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