Molecule

ID:110679

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKey
PCGACKLJNBBQGM-UHFFFAOYSA-N
Canonic Smiles
CCC/C=C/COC(=O)CCC
Isomeric Smiles
CCC/C=C/COC(=O)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.074675
LogD (pH = 7.4)
3.074675
Log P
3.074675
Molar Refractivity
50.6789
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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