Molecule

ID:19133

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₂
Molecular Mass
146.22732
Exact Mass
146.13067982
Charge
0
InChI
InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
InChIKey
AEIJTFQOBWATKX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CO)O
Isomeric Smiles
CCCCCCC(O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
1.51
LogD (pH = 5.5)
1.51
Log P
1.51
Rotatable Bonds
6
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.27
Polar Surface Area
40.46
Polarizability
18.09
Molar Refractivity
41.90
LOG S
-1.83
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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