505 Mrv0541 02241213132 d 999 V2000型14 0 0 0 0 17.5358 5.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5358 4.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2502 4.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8213 4.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8213 3.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1068 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1068 2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8213 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3924 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6779 2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6779 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3924 3.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3924 4.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0415 4.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 2 14 1 6 0 0 0 4 5 1 0 0 0 0 5 6 6 7 1 1 0 0 0 0 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M >结束
DB07129 >
drugbank >
[H] [C@) (C) (N) COC1 = C (C) C = CC = C1C >
InChI = 1 s / C11H17NO c1-8-5-4-6-9 (2) 11 (8) 13-7-10 (3) 12 / h4-6 10 h, 7日12 h2, 1-3H3 / t10 - m1 / s1 >
VLPIATFUUWWMKC-SNVBAGLBSA-N >
C11H17NO >
179.2588 >
179.131014171 >
2 >
30日>
0.9969763276468159 >
21.158991281164482 >
1 >
1 >
0 >
1 >
(2 r) 1 - (2, 6-dimethylphenoxy) propan-2-amine >
2.17 >
2.4620085449999998 >
-2.52 >
0 >
1 >
1 >
1 >
9.5181501174897 >
35.25 >
54.97220000000001 >
3 >
1 >
5.38 e-01 g / l >
生物素>
1 >
DB07129 >
实验>
(2 r) 1 - (2, 6-dimethylphenoxy) propan-2-amine $ $ $ $