Mrv1652306242117493D 42 41 0 0 0 0 999 V2000 5.0727 -0.8199 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 -0.2146 -0.6776 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9964 -0.5957 -0.8155 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3075 -0.0582 0.4173 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8210 -0.3759 0.3979 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1424 0.2272 -0.7968 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3014 -0.0600 -0.8469 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1333 0.4064 0.2785 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1359 1.8850 0.5178 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0340 2.1789 1.6993 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0887 3.6590 2.0052 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7189 4.5101 0.5854 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 3.9769 3.3586 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 4.2243 2.4593 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -1.5166 -0.9356 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 -2.1569 -2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 -3.6360 -2.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 -1.4931 -3.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -0.3527 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -1.9328 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 -0.6849 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 0.8898 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 -0.5733 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 -1.6785 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.1194 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 0.9933 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 -0.6381 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -1.4625 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 0.0940 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.2596 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 1.2915 -0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 0.3427 -1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 -0.0918 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 0.0610 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 2.3512 -0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 2.3423 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 1.8645 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 1.5672 2.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 -2.0610 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -4.1399 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -3.9813 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 -3.9627 -2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 6 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 15 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END > NP0003679 > NP-MRD > [H]N(C(=O)C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(Cl)(Cl)Cl > InChI=1S/C13H24Cl3NO/c1-3-4-5-6-8-12(17-11(2)18)9-7-10-13(14,15)16/h12H,3-10H2,1-2H3,(H,17,18)/t12-/m1/s1 > PMBAZTIKQVXAJA-UHFFFAOYSA-N > C13H24Cl3NO > 316.69 > 315.0923475 > 1 > 42 > 33.690807109876125 > 1 > 1 > 0 > 1 > N-[(5R)-1,1,1-trichloroundecan-5-yl]acetamide > 5.11 > 4.489448832333333 > -6.26 > 0 > 0 > 0 > 15.11213374472969 > -1.2112285555447517 > 29.1 > 80.47169999999998 > 10 > 1 > 1.74e-04 g/l > N-[(5R)-1,1,1-trichloroundecan-5-yl]acetamide > 1 > NP0003679 > 5-Acetamido-1,1,1-trichloroundecane $$$$