SpectraBase Compound ID | CKMjMYZ9jUL |
---|---|
InChI | InChI=1S/C16H17N3/c1-19-12-7-8-15(19)13-10-17-16(18-14(13)9-12)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t12-,15?/m0/s1 |
InChIKey | ODVGNMWNZUHCKD-SFVWDYPZSA-N |
Mol Weight | 251.33 g/mol |
Molecular Formula | C16H17N3 |
Exact Mass | 251.142248 g/mol |
Enantiomer InChIKey | ODVGNMWNZUHCKD-KEKZHRQWSA-N |
Title | Journal or Book | Year |
---|---|---|
An Analysis of the Binding of Cocaine Analogues to the Monoamine Transporters Using Tensor Decomposition 3-D QSAR | Bioorganic & Medicinal Chemistry | 2002 |
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