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PDBeChem : Molecule Descriptors
Molecule : RSK
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+ |
2 |
InChIKey
|
InChI |
1.03 |
PONXTPCRRASWKW-OKILXGFUSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
N[CH]([CH](N)c1ccccc1)c2ccccc2 |
4 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)C(C(c2ccccc2)N)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
N[C@H]([C@H](N)c1ccccc1)c2ccccc2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N |
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