
 CHEMBL69204

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.2141   -3.9879    2.4197 C   0  0  0  0  0
    5.5758   -3.7194    2.3127 C   0  0  0  0  0
    6.0145   -2.6193    1.5747 C   0  0  0  0  0
    5.1008   -1.7945    0.9036 C   0  0  0  0  0
    3.7303   -2.0671    1.0351 C   0  0  0  0  0
    3.2907   -3.1563    1.7905 C   0  0  0  0  0
    5.5405   -0.6027    0.0834 C   0  0  0  0  0
    6.9602   -0.5538   -0.1289 O   0  0  0  0  0
    7.4347   -0.9243   -1.3694 C   0  0  0  0  0
    8.4586   -0.2850   -1.9596 C   0  0  0  0  0
    9.1410    0.8544   -1.5317 N   0  0  0  0  0
    8.9186    1.6478   -0.4197 C   0  0  0  0  0
    9.7898    2.6273   -0.3749 N   0  0  0  0  0
   10.5828    2.4625   -1.4711 N   0  0  0  0  0
   10.2064    1.4081   -2.1778 N   0  0  0  0  0
    6.9457   -2.1903   -1.9564 C   0  0  0  0  0
    6.0213   -2.2515   -3.0151 C   0  0  0  0  0
    5.5715   -3.4843   -3.4971 C   0  0  0  0  0
    6.0587   -4.6635   -2.9397 C   0  0  0  0  0
    7.0022   -4.6253   -1.9167 C   0  0  0  0  0
    7.4477   -3.3938   -1.4323 C   0  0  0  0  0
    5.4955   -6.1806   -3.5218 Cl  0  0  0  0  0
    5.3947   -0.8223   -3.7616 Cl  0  0  0  0  0
    3.8726   -4.8405    3.0007 H   0  0  0  0  0
    6.2983   -4.3628    2.8076 H   0  0  0  0  0
    7.0821   -2.4192    1.5219 H   0  0  0  0  0
    2.9928   -1.4289    0.5528 H   0  0  0  0  0
    2.2267   -3.3556    1.8898 H   0  0  0  0  0
    5.2848    0.3016    0.6483 H   0  0  0  0  0
    4.9860   -0.5501   -0.8595 H   0  0  0  0  0
    8.8636   -0.6695   -2.8927 H   0  0  0  0  0
    8.1323    1.4715    0.2954 H   0  0  0  0  0
    4.8419   -3.5253   -4.3019 H   0  0  0  0  0
    7.3883   -5.5459   -1.4863 H   0  0  0  0  0
    8.1821   -3.3790   -0.6284 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL69204

>  <PubChem CID>
44309086

>  <Formula>
C16H12Cl2N4O

>  <Molecular Weight>
347.199000

>  <IUPAC Name>
1-[(Z)-2-(2,4-dichlorophenyl)-2-phenylmethoxyethenyl]tetrazole

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)COC(=CN2C=NN=N2)C3=C(C=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)CO/C(=C\N2C=NN=N2)/C3=C(C=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C16H12Cl2N4O/c17-13-6-7-14(15(18)8-13)16(9-22-11-19-20-21-22)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-9-

>  <InChI Key>
ABVXVPZILYLGMQ-SXGWCWSVSA-N

