Molecule

ID:73683

General Information
Structure
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
InChIKey
FTJATNSAFIFEDU-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCC(=O)OCC
Isomeric Smiles
O(C(=O)CCCCC=C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4541788
LogD (pH = 7.4)
2.4541788
Log P
2.4541788
Molar Refractivity
45.2364
Polarizability
17.827818
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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