
 CHEMBL363619

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.6796    3.6097    0.0928 C   0  0  0  0  0
    1.7538    2.6882    0.4764 N   0  0  0  0  0
    1.1925    1.3573    0.7208 C   0  0  0  0  0
    2.7908    2.6696   -0.5763 C   0  0  0  0  0
    4.0151    1.7850   -0.2827 C   0  0  0  0  0
    4.7808    2.1365    0.9849 C   0  0  0  0  0
    6.2240    2.3636    0.5311 C   0  0  0  0  0
    6.2718    1.6528   -0.8314 C   0  0  0  0  0
    4.9504    1.8634   -1.3752 O   0  0  0  0  0
    6.6172    0.1804   -0.8112 C   0  0  0  0  0
    7.8288   -0.2226   -0.2389 C   0  0  0  0  0
    8.2186   -1.5641   -0.2177 C   0  0  0  0  0
    7.3826   -2.5354   -0.7651 C   0  0  0  0  0
    6.1828   -2.1524   -1.3597 C   0  0  0  0  0
    5.8088   -0.8079   -1.3977 C   0  0  0  0  0
    5.1595   -3.3425   -2.0624 Cl  0  0  0  0  0
    8.7236    0.7151    0.2119 O   0  0  0  0  0
    8.3930    1.2900    1.4152 C   0  0  0  0  0
    9.3299    1.1079    2.4412 C   0  0  0  0  0
    9.1287    1.6888    3.6897 C   0  0  0  0  0
    8.0017    2.4715    3.9062 C   0  0  0  0  0
    7.0785    2.6691    2.8755 C   0  0  0  0  0
    7.2481    2.0731    1.6083 C   0  0  0  0  0
    1.0724    4.6218   -0.0525 H   0  0  0  0  0
   -0.0710    3.6766    0.8876 H   0  0  0  0  0
    0.1778    3.2968   -0.8297 H   0  0  0  0  0
    0.3800    1.4093    1.4548 H   0  0  0  0  0
    1.9415    0.6868    1.1546 H   0  0  0  0  0
    0.7992    0.8987   -0.1939 H   0  0  0  0  0
    3.1549    3.6935   -0.7397 H   0  0  0  0  0
    2.3588    2.3572   -1.5376 H   0  0  0  0  0
    3.6884    0.7402   -0.2275 H   0  0  0  0  0
    4.6972    1.3100    1.7026 H   0  0  0  0  0
    4.3807    3.0264    1.4851 H   0  0  0  0  0
    6.3145    3.4385    0.3098 H   0  0  0  0  0
    6.9806    2.1511   -1.5044 H   0  0  0  0  0
    9.1726   -1.8471    0.2174 H   0  0  0  0  0
    7.6787   -3.5804   -0.7432 H   0  0  0  0  0
    4.8823   -0.5319   -1.8976 H   0  0  0  0  0
   10.2189    0.5097    2.2620 H   0  0  0  0  0
    9.8532    1.5390    4.4853 H   0  0  0  0  0
    7.8416    2.9402    4.8746 H   0  0  0  0  0
    6.2187    3.3075    3.0718 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>
CHEMBL363619

>  <PubChem CID>
44402486

>  <Formula>
C19H20ClNO2

>  <Molecular Weight>
329.824000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H20ClNO2/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-/m0/s1

>  <InChI Key>
RHPCETHLGGFAQB-RFUYNDQBSA-N

