Molecule

ID:106901

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey
XUPYJHCZDLZNFP-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)CCC
Isomeric Smiles
CCCCOC(=O)CCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.39
LogD (pH = 5.5)
2.39
Log P
2.39
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
17.35
Molar Refractivity
40.51
LOG S
-1.87
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation