Mrv1652306031607122D          

 19 20  0  0  1  0            999 V2000
    0.7393    3.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    2.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -0.9177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8393    0.9360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0015    0.0092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6436    0.7525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1579    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    0.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    1.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    2.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -1.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557    1.7403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    0.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711    1.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  7  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12  2  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  1  0  0  0
 14 11  2  0  0  0  0
 15  3  1  0  0  0  0
 15 11  1  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  1  0  0  0
  9 18  1  6  0  0  0
 10 19  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM043732

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OCC)[C@@]([H])(O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1

> <INCHI_KEY>
ABDMBNAKYBUEEX-DOLQZWNJSA-N

> <FORMULA>
C11H19NO3

> <MOLECULAR_WEIGHT>
213.277

> <EXACT_MASS>
213.136493476

> <ALOGPS_LOGP>
0.58

> <ALOGPS_LOGS>
0.25

> <ALOGPS_SOLUBILITY>
3.81e+02 g/l

> <NAME>
ethylecgonine

> <CAS>
70939-97-8

$$$$