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PDBeChem : Molecule Descriptors
Molecule : 6LR
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 |
2 |
InChIKey
|
InChI |
1.03 |
YNAVUWVOSKDBBP-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N1CCOCC1 |
4 |
SMILES
|
CACTVS |
3.385 |
C1COCCN1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
C1COCCN1 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C1COCCN1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
C1COCCN1 |
|