![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : UQB
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
LPKXWVNNGWDLMT-QMMMGPOBSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
NC[CH](O)c1ccc(F)cc1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C(CN)O)F |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
NC[C@H](O)c1ccc(F)cc1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1[C@H](CN)O)F |
|