Molecule

ID:105447

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂
Molecular Mass
158.23802
Exact Mass
158.13067982
Charge
0
InChI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey
FBUKVWPVBMHYJY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.99
LogD (pH = 5.5)
2.69
Log P
3.14
Rotatable Bonds
7
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.23
Polar Surface Area
37.30
Polarizability
19.50
Molar Refractivity
44.88
LOG S
-3.02
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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