
 CHEMBL362950

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.7849    3.8007    0.1158 C   0  0  0  0  0
    1.9267    2.9995    0.5672 N   0  0  0  0  0
    1.4469    1.7232    1.1033 C   0  0  0  0  0
    2.8723    2.8121   -0.5519 C   0  0  0  0  0
    4.1591    2.0459   -0.2054 C   0  0  0  0  0
    4.9938    2.6538    0.9070 C   0  0  0  0  0
    6.4531    2.4777    0.4640 C   0  0  0  0  0
    6.3470    1.6701   -0.8492 C   0  0  0  0  0
    5.0258    1.9763   -1.3500 O   0  0  0  0  0
    6.5476    0.1720   -0.7705 C   0  0  0  0  0
    7.7232   -0.3340   -0.2060 C   0  0  0  0  0
    7.9868   -1.7066   -0.1597 C   0  0  0  0  0
    7.0561   -2.6062   -0.6748 C   0  0  0  0  0
    5.8933   -2.1165   -1.2558 C   0  0  0  0  0
    5.6407   -0.7492   -1.3212 C   0  0  0  0  0
    5.0052   -2.9757   -1.7746 F   0  0  0  0  0
    8.7056    0.5225    0.2232 O   0  0  0  0  0
    8.4296    1.1367    1.4203 C   0  0  0  0  0
    9.3100    0.8395    2.4690 C   0  0  0  0  0
    9.1603    1.4545    3.7080 C   0  0  0  0  0
    8.1479    2.3885    3.8895 C   0  0  0  0  0
    7.2841    2.6980    2.8349 C   0  0  0  0  0
    7.3920    2.0639    1.5795 C   0  0  0  0  0
    1.1181    4.7795   -0.2473 H   0  0  0  0  0
    0.0968    3.9939    0.9469 H   0  0  0  0  0
    0.2246    3.3061   -0.6870 H   0  0  0  0  0
    0.6996    1.8902    1.8872 H   0  0  0  0  0
    2.2588    1.1654    1.5806 H   0  0  0  0  0
    0.9963    1.0916    0.3288 H   0  0  0  0  0
    3.1684    3.7963   -0.9407 H   0  0  0  0  0
    2.3811    2.3034   -1.3930 H   0  0  0  0  0
    3.8982    1.0147    0.0603 H   0  0  0  0  0
    4.7526    2.1656    1.8583 H   0  0  0  0  0
    4.7775    3.7227    1.0334 H   0  0  0  0  0
    6.7981    3.4796    0.1617 H   0  0  0  0  0
    7.0625    2.0532   -1.5880 H   0  0  0  0  0
    8.9164   -2.0695    0.2690 H   0  0  0  0  0
    7.2369   -3.6755   -0.6454 H   0  0  0  0  0
    4.7326   -0.4179   -1.8160 H   0  0  0  0  0
   10.1147    0.1260    2.3140 H   0  0  0  0  0
    9.8392    1.2168    4.5220 H   0  0  0  0  0
    8.0336    2.8883    4.8484 H   0  0  0  0  0
    6.5220    3.4569    3.0051 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 17  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL362950

>  <PubChem CID>
44402373

>  <Formula>
C19H20FNO2

>  <Molecular Weight>
313.372000

>  <IUPAC Name>


>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=C(C=CC(=C3)F)OC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)C[C@H]1C[C@@H]2[C@H](O1)C3=C(C=CC(=C3)F)OC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1

>  <InChI Key>
LGHLMADLDHUIJY-WTANOLMUSA-N

