Molecule

ID:106212

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N
Molecular Mass
129.24316
Exact Mass
129.15174961
Charge
0
InChI
InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
InChIKey
JQVDAXLFBXTEQA-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCCC
Isomeric Smiles
CCCCNCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.78286564
LogD (pH = 7.4)
-0.5371046
Log P
2.4549196
Molar Refractivity
42.4406
Polarizability
17.036163
Polar Surface Area
12.03
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...