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PDBeChem : Molecule Descriptors
Molecule : FLA
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
HMJQKIDUCWWIBW-SFOWXEAESA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
FC(F)(F)C(N)C(=O)O |
4 |
SMILES
|
CACTVS |
3.341 |
N[CH](C(O)=O)C(F)(F)F |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(=O)O)(C(F)(F)F)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](C(O)=O)C(F)(F)F |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
[C@H](C(=O)O)(C(F)(F)F)N |
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