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PDBeChem : Molecule Descriptors
Molecule : T8V
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11) |
2 |
InChIKey
|
InChI |
1.03 |
KWZIDENWDCKKPW-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n1cccc(c1Cl)NC(C)=O |
4 |
SMILES
|
CACTVS |
3.385 |
CC(=O)Nc1cccnc1Cl |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)Nc1cccnc1Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(=O)Nc1cccnc1Cl |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)Nc1cccnc1Cl |
|