basic_info |
|
| Product_Name： | NIP 502 |
| CAS： | 108616-42-8 |
| EnglishSynonyms： | NIP 502 |
| pro_mdlNumber： | MFCD00940166 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | CCOc1cc(ccc1OC)CNc2cn[nH]c(=O)c2Cl |
| InChi： | InChI=1S/C14H16ClN3O3/c1-3-21-12-6-9(4-5-11(12)20-2)7-16-10-8-17-18-14(19)13(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,18,19) |
| InChiKey： | InChIKey=MLZKFBZEYADEIN-UHFFFAOYSA-N |
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