Molecule

ID:129133

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂
Molecular Mass
158.23802
Exact Mass
158.13067982
Charge
0
InChI
InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
InChIKey
HTUIWRWYYVBCFT-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OCCC
Isomeric Smiles
CCCCCC(=O)OCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.84
LogD (pH = 5.5)
2.84
Log P
2.84
Rotatable Bonds
7
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
19.39
Molar Refractivity
45.12
LOG S
-2.40
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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