![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : WQY
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2 |
2 |
InChIKey
|
InChI |
1.03 |
VKKZSJQQRIGUIE-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n2c1ccccc1cc(CN)c2 |
4 |
SMILES
|
CACTVS |
3.385 |
NCc1cnc2ccccc2c1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)cc(cn2)CN |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
NCc1cnc2ccccc2c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)cc(cn2)CN |
|