|
PDBeChem : Molecule Descriptors
Molecule : PAW
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2 |
2 |
InChIKey
|
InChI |
1.03 |
FAGUFWYHJQFNRV-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
NCCNCCNCCNCCN |
4 |
SMILES
|
CACTVS |
3.341 |
NCCNCCNCCNCCN |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CNCCNCCNCCN)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
NCCNCCNCCNCCN |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CNCCNCCNCCN)N |
|