Molecule

ID:88443

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂
Molecular Mass
158.23802
Exact Mass
158.13067982
Charge
0
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey
JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OC
Isomeric Smiles
O(C(=O)CCCCCCC)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.85
LogD (pH = 5.5)
2.85
Log P
2.85
Rotatable Bonds
7
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
19.43
Molar Refractivity
45.04
LOG S
-2.70
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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