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PDBeChem : Molecule Descriptors
Molecule : ANI
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
2 |
InChIKey
|
InChI |
1.03 |
ODGIMMLDVSWADK-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
FC(F)(F)c1ccc(N)cc1 |
4 |
SMILES
|
CACTVS |
3.370 |
Nc1ccc(cc1)C(F)(F)F |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1cc(ccc1C(F)(F)F)N |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
Nc1ccc(cc1)C(F)(F)F |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1cc(ccc1C(F)(F)F)N |
|