|
PDBeChem : Molecule Descriptors
Molecule : KT6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14) |
2 |
InChIKey
|
InChI |
1.06 |
QAWZKMJXXMSMKK-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OCCNC(=O)c1cc(Cl)c(Cl)cc1S |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OCCNC(=O)c1cc(Cl)c(Cl)cc1S |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO |
|