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PDBeChem : Molecule Descriptors
Molecule : DLT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1 |
2 |
InChIKey
|
InChI |
1.03 |
QDYMCFLCMGVGMD-UHFFFAOYSA-O |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CCC[N+](C)(C)CCF |
4 |
SMILES
|
CACTVS |
3.385 |
C[N+](C)(CCF)CCCC(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
C[N+](C)(CCCC(=O)O)CCF |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C[N+](C)(CCF)CCCC(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
C[N+](C)(CCCC(=O)O)CCF |
|