
 CHEMBL2207118

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.9360   -4.1040   -2.6083 C   0  0  0  0  0
    2.1279   -3.3680   -2.0758 C   0  0  0  0  0
    1.9818   -2.2066   -1.3185 C   0  0  0  0  0
    3.1075   -1.5460   -0.8068 C   0  0  0  0  0
    4.4151   -2.0240   -1.0228 C   0  0  0  0  0
    4.5378   -3.1954   -1.7826 C   0  0  0  0  0
    3.4148   -3.8609   -2.2962 C   0  0  0  0  0
    5.5506   -1.2955   -0.5044 N   0  0  0  0  0
    6.8838   -1.7256   -0.6169 C   0  0  0  0  0
    7.2615   -2.8223   -1.0310 O   0  0  0  0  0
    7.9502   -0.7451   -0.2123 C   0  0  0  0  0
    7.5876    0.4397    0.2929 C   0  0  0  0  0
    6.1579    0.6642    0.5074 C   0  0  0  0  0
    5.2054   -0.1171    0.1314 N   0  0  0  0  0
    8.6264    1.7564    0.6558 Cl  0  0  0  0  0
    9.2423   -1.1065   -0.5743 O   0  0  0  0  0
   10.2909   -0.9898    0.3038 C   0  0  0  0  0
   10.1931   -1.1672    1.6848 C   0  0  0  0  0
   11.3323   -1.0155    2.4813 C   0  0  0  0  0
   12.5574   -0.7173    1.8909 C   0  0  0  0  0
   12.6711   -0.5817    0.5122 C   0  0  0  0  0
   11.5332   -0.7245   -0.2814 C   0  0  0  0  0
   13.6384   -0.5683    2.7079 O   0  0  0  0  0
    0.0382   -3.4772   -2.5882 H   0  0  0  0  0
    0.7479   -4.9978   -2.0057 H   0  0  0  0  0
    1.1033   -4.4023   -3.6487 H   0  0  0  0  0
    0.9935   -1.7982   -1.1197 H   0  0  0  0  0
    2.9359   -0.6401   -0.2303 H   0  0  0  0  0
    5.5012   -3.6335   -2.0194 H   0  0  0  0  0
    3.5616   -4.7695   -2.8766 H   0  0  0  0  0
    5.8852    1.6022    1.0202 H   0  0  0  0  0
    9.2512   -1.4249    2.1582 H   0  0  0  0  0
   11.2672   -1.1323    3.5591 H   0  0  0  0  0
   13.6247   -0.3678    0.0397 H   0  0  0  0  0
   11.6106   -0.6246   -1.3614 H   0  0  0  0  0
   14.4120   -0.3504    2.1621 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 34  1  0  0  0
 22 35  1  0  0  0
 23 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207118

>  <PubChem CID>
50904418

>  <Formula>
C17H13ClN2O3

>  <Molecular Weight>
328.752000

>  <IUPAC Name>
5-chloro-4-(4-hydroxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C17H13ClN2O3/c1-11-2-4-12(5-3-11)20-17(22)16(15(18)10-19-20)23-14-8-6-13(21)7-9-14/h2-10,21H,1H3

>  <InChI Key>
FMFCQSRXVMJDLE-UHFFFAOYSA-N

