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Cat. No. 000S-0473Stock: Yes |
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Descriptors | Libraries | |||
| Molecular weight | 227.349 | |||
| H_acceptor | 0 | |||
| H_donor | 0 | |||
| B_rotN | 2 | |||
| logP | 5.1191 | |||
| logD | 5.1191 | |||
| logSw | -5.593 | |||
| PSA | 23.79 | |||
| Percent SP3 | 56.3 | |||
| Smile | N#Cc1ccc(cc1)C1CCC(CC1)CCC | |||
| InChI | InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3 | |||
| InChI Key | XXUSEPRYHRDKFV-UHFFFAOYSA-N | |||