Molecule

ID:112336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InChIKey
LNCPIMCVTKXXOY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)C(=C)C
Isomeric Smiles
CCCCCCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5207615
LogD (pH = 7.4)
3.5207615
Log P
3.5207615
Molar Refractivity
49.4932
Polarizability
19.670214
Polar Surface Area
26.3
Rotatable Bonds
7
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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