Molecule

ID:128219

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₂
Molecular Mass
168.23284
Exact Mass
168.11502975
Charge
0
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
InChIKey
NEDIAPMWNCQWNW-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1CC=CC(=O)O1
Isomeric Smiles
CCCCCC1CC=CC(=O)O1
Calculated Properties
JChem
Acid pKa
17.277988
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0980802
LogD (pH = 7.4)
3.0980802
Log P
3.0980802
Molar Refractivity
48.7482
Polarizability
18.940886
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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