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PDBeChem : Molecule Descriptors
Molecule : 34A
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
DOLQYFPDPKPQSS-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
Nc1cc(c(cc1)C)C |
4 |
SMILES
|
CACTVS |
3.341 |
Cc1ccc(N)cc1C |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1ccc(cc1C)N |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
Cc1ccc(N)cc1C |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1ccc(cc1C)N |
|