Molecule

ID:68886

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₂
Molecular Mass
146.22732
Exact Mass
146.13067982
Charge
0
InChI
InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKey
OEIJHBUUFURJLI-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCO
Isomeric Smiles
C(CCCCCCCO)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.15
LogD (pH = 5.5)
1.15
Log P
1.15
Rotatable Bonds
7
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.69
Polar Surface Area
40.46
Polarizability
18.43
Molar Refractivity
42.47
LOG S
-0.72
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation