 | Structure Search | Contact us | ||
Cat. No. 000L-5714Stock: Yes |
Buy online | |||
Descriptors | Libraries | |||
| Molecular weight | 291.694 | |||
| H_acceptor | 5 | |||
| H_donor | 1 | |||
| B_rotN | 3 | |||
| logP | 3.05 | |||
| logD | 2.61 | |||
| logSw | -1.9 | |||
| PSA | 87.81 | |||
| Percent SP3 | 7.7 | |||
| Smile | Cc1c[nH0]c(NC(c2c(cc([N+](=O)[O-])cc2)Cl)=O)cc1 | |||
| InChI | InChI=1S/C13H10ClN3O3/c1-8-2-5-12(15-7-8)16-13(18)10-4-3-9(17(19)20)6-11(10)14/h2-7H,1H3,(H,15,16,18) | |||
| InChI Key | VCQHOYJHMUNVJI-UHFFFAOYSA-N | |||