|
|
2D Structure
|
|
Physico-chemical Properties
|
|
Hydrogen bond acceptors
|
1
|
Hydrogen bond donors
|
0
|
Rotatable bonds
|
0
|
Topological polar surface area
|
3.24
|
Molecular weight
|
99.1
|
XLogP
|
0.93
|
No. Lipinski's rules broken
|
0
|
|
SMILES / InChI / InChIKey
|
|
Canonical SMILES
|
CN1CCCCC1
|
Isomeric SMILES
|
CN1CCCCC1
|
InChI
|
InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
|
InChI Key
|
PAMIQIKDUOTOBW-UHFFFAOYSA-N
|
|
|