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PDBeChem : Molecule Descriptors
Molecule : WGP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
MLCBUWNEWJFXJX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N(CC(N(C)C)=O)c1ccccc1 |
4 |
SMILES
|
CACTVS |
3.385 |
CN(C)C(=O)CNc1ccccc1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(C)C(=O)CNc1ccccc1 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CN(C)C(=O)CNc1ccccc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN(C)C(=O)CNc1ccccc1 |
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