2554 -OEChem-08052608093D 30 32 0 0 0 0 0 0 0999 V2000 1.0649 2.9296 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 0.8924 -0.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 2.8293 -0.9143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.1984 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 0.1925 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -1.0876 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.0920 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -1.8018 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.8031 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 0.8267 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 0.8106 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 -1.6980 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -1.7062 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 2.2626 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 0.2018 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 0.1821 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -1.0609 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 -1.0763 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -2.4020 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -2.4043 -2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 1.8059 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 1.7811 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -2.6824 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -2.6897 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 0.7029 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 0.6743 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 -1.5494 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 -1.5689 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 3.8055 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 2.2987 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 2554 > 0.6 > 1 2 > 30 1 -0.57 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 0.69 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.15 2 -0.29 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.37 3 -0.8 30 0.37 4 0.12 5 0.12 6 0.03 7 0.03 8 -0.18 9 -0.18 > 1.2 > 5 1 1 acceptor 1 3 donor 6 4 6 10 12 15 17 rings 6 5 7 11 13 16 18 rings 7 2 4 5 6 7 8 9 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000009FA00000001 > 96.3002 > 25.393 > 11086676 242 18409450288900428674 11132069 177 18201433658071574178 11578080 2 16443334399432483244 12035758 1 18191305979676033833 12251169 10 18201718457352998042 12382932 28 18131071515216335867 12403814 3 18340471327478334930 12553582 1 18334583455264440010 12644460 14 18046375142739282977 12696612 119 18340495555088398415 12716301 132 17976529516835310858 13140716 1 18198623237647293858 13172582 1 18341896298584527703 14178342 30 18271823289165783299 14817 1 12417244829310282045 15852999 172 17543054689599355876 15881359 60 18199447914386091167 16945 1 18337390547136408999 17804303 29 18059588935763723566 19930374 2 18268142063663107743 20361792 2 17968095339058304675 20559304 39 18196384816841091969 20871998 184 18339635629716227820 21421861 104 17687207669615332115 22149856 69 17199990785173847683 22959321 45 18341894125637063530 23184049 59 18272088296741956667 2334 1 18342737437790994294 23388829 49 17984127438341021871 23419403 2 15834168738216889839 23463225 33 18412547651536402555 2748010 2 18126287432691521974 5845 1 8640062714569841637 6786 2 15657726418252651894 6992083 37 18271236235328349871 81228 2 17973740085932445737 90316 7 18262237703248923545 > 354.6 5.41 2.71 1.3 0.13 1.58 0.01 -1.83 3.06 -0.03 -1.33 -0.05 0.03 0.06 > 786.5 > 186.8 > 2 5 10 $$$$

Carbamazepine

Chemistry

Also known as