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PDBeChem : Molecule Descriptors
Molecule : AXO
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ |
2 |
InChIKey
|
InChI |
1.03 |
FZENGILVLUJGJX-NSCUHMNNSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N(/O)=C\C |
4 |
SMILES
|
CACTVS |
3.385 |
CC=NO |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CC=NO |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C/C=N/O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C/C=N/O |
|