
 CHEMBL2314298

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.7765   -2.0924    4.1545 C   0  0  0  0  0
    0.6352   -1.3887    3.7983 C   0  0  0  0  0
   -0.0260   -1.6904    2.6051 C   0  0  0  0  0
    0.4336   -2.7022    1.7290 C   0  0  0  0  0
    1.5965   -3.4177    2.1175 C   0  0  0  0  0
    2.2516   -3.1017    3.3199 C   0  0  0  0  0
    2.0923   -4.4466    1.3038 C   0  0  0  0  0
    1.4596   -4.7833    0.1113 C   0  0  0  0  0
    0.3244   -4.0879   -0.2882 C   0  0  0  0  0
   -0.1990   -3.0414    0.4972 C   0  0  0  0  0
   -1.4629   -2.3565    0.0027 C   0  0  0  0  0
   -2.6600   -3.0458    0.4825 N   0  0  0  0  0
   -3.2224   -4.0564   -0.2945 C   0  0  0  0  0
   -2.9077   -4.2490   -1.4681 O   0  0  0  0  0
   -4.2268   -4.9349    0.3884 C   0  0  0  0  0
   -4.6820   -4.5628    1.5874 C   0  0  0  0  0
   -4.0940   -3.3756    2.2134 C   0  0  0  0  0
   -3.1317   -2.6692    1.7215 N   0  0  0  0  0
   -5.8805   -5.4114    2.4755 Cl  0  0  0  0  0
   -4.7497   -6.0640   -0.2389 O   0  0  0  0  0
   -3.9306   -6.9314   -0.9295 C   0  0  0  0  0
   -4.5674   -7.6527   -1.9523 C   0  0  0  0  0
   -3.8141   -8.5644   -2.7115 C   0  0  0  0  0
   -2.4661   -8.7216   -2.4124 C   0  0  0  0  0
   -1.8096   -8.0452   -1.3876 C   0  0  0  0  0
   -2.5800   -7.1528   -0.6300 C   0  0  0  0  0
   -1.8983   -9.6288   -3.2552 O   0  0  0  0  0
   -2.8799  -10.0605   -4.0900 C   0  0  0  0  0
   -4.0745   -9.4445   -3.7948 C   0  0  0  0  0
    2.2951   -1.8610    5.0808 H   0  0  0  0  0
    0.2523   -0.6049    4.4463 H   0  0  0  0  0
   -0.9229   -1.1205    2.3769 H   0  0  0  0  0
    3.1451   -3.6459    3.6182 H   0  0  0  0  0
    2.9811   -5.0007    1.5978 H   0  0  0  0  0
    1.8520   -5.5869   -0.5059 H   0  0  0  0  0
   -0.1617   -4.3679   -1.2228 H   0  0  0  0  0
   -1.4598   -2.3405   -1.0945 H   0  0  0  0  0
   -1.5048   -1.3047    0.3047 H   0  0  0  0  0
   -4.5034   -3.0890    3.1963 H   0  0  0  0  0
   -5.6217   -7.4989   -2.1588 H   0  0  0  0  0
   -0.7568   -8.2051   -1.1916 H   0  0  0  0  0
   -2.0912   -6.6257    0.1851 H   0  0  0  0  0
   -2.5771  -10.7926   -4.8254 H   0  0  0  0  0
   -5.0156   -9.6047   -4.3002 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 20 21  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 29  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 43  1  0  0  0
 29 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314298

>  <PubChem CID>
51003748

>  <Formula>
C23H15ClN2O3

>  <Molecular Weight>
402.834000

>  <IUPAC Name>
4-(1-benzofuran-5-yloxy)-5-chloro-2-(naphthalen-1-ylmethyl)pyridazin-3-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)OC4=CC5=C(C=C4)OC=C5

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)OC4=CC5=C(C=C4)OC=C5

>  <InChI Std. ID>
InChI=1S/C23H15ClN2O3/c24-20-13-25-26(14-17-6-3-5-15-4-1-2-7-19(15)17)23(27)22(20)29-18-8-9-21-16(12-18)10-11-28-21/h1-13H,14H2

>  <InChI Key>
CHMDFROTHGRHIN-UHFFFAOYSA-N

