Molecule

ID:110803

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
InChIKey
OALYTRUKMRCXNH-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1CCC(=O)O1
Isomeric Smiles
CCCCCC1CCC(=O)O1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4223547
LogD (pH = 7.4)
2.4223547
Log P
2.4223547
Molar Refractivity
43.0539
Polarizability
17.343075
Polar Surface Area
26.3
Rotatable Bonds
4
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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