
 CHEMBL338683

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.4036    1.4542    0.0325 C   0  0  0  0  0
   -2.5275    0.6433   -0.6092 C   0  0  0  0  0
   -2.6934   -0.7148    0.0753 C   0  0  0  0  0
   -1.3886   -1.5264    0.0432 C   0  0  0  0  0
   -0.1086   -0.7169    0.1085 C   0  0  0  0  0
    1.1121   -1.4148    0.1281 C   0  0  0  0  0
    2.3227   -0.7261    0.1466 C   0  0  0  0  0
    2.3416    0.6618    0.1676 C   0  0  0  0  0
    1.1372    1.3672    0.1497 C   0  0  0  0  0
   -0.0999    0.6932    0.0862 C   0  0  0  0  0
    1.2342    3.0932    0.2079 Cl  0  0  0  0  0
    3.8036   -1.6017    0.1401 Cl  0  0  0  0  0
   -3.8770   -1.5156   -0.5455 C   0  0  0  0  0
   -4.9886   -1.5142    0.4535 N   0  0  0  0  0
   -4.4572   -0.9846    1.5096 C   0  0  0  0  0
   -3.1933   -0.5061    1.4276 N   0  0  0  0  0
   -1.6771    1.7502    1.0527 H   0  0  0  0  0
   -1.2930    2.3699   -0.5582 H   0  0  0  0  0
   -3.4572    1.2247   -0.5592 H   0  0  0  0  0
   -2.3044    0.4924   -1.6739 H   0  0  0  0  0
   -1.3443   -2.0879   -0.8997 H   0  0  0  0  0
   -1.3837   -2.2595    0.8608 H   0  0  0  0  0
    1.1166   -2.5035    0.1145 H   0  0  0  0  0
    3.2887    1.1943    0.1937 H   0  0  0  0  0
   -3.6063   -2.5604   -0.7385 H   0  0  0  0  0
   -4.2248   -1.0788   -1.4877 H   0  0  0  0  0
   -4.9676   -0.8713    2.4780 H   0  0  0  0  0
   -2.5736   -0.5646    2.2266 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL338683

>  <PubChem CID>
11777109

>  <Formula>
C12H12Cl2N2

>  <Molecular Weight>
255.142000

>  <IUPAC Name>
6',8'-dichlorospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2(CC3=CC(=CC(=C31)Cl)Cl)CN=CN2

>  <Isomeric SMILES>
C1CC2(CC3=CC(=CC(=C31)Cl)Cl)CN=CN2

>  <InChI Std. ID>
InChI=1S/C12H12Cl2N2/c13-9-3-8-5-12(6-15-7-16-12)2-1-10(8)11(14)4-9/h3-4,7H,1-2,5-6H2,(H,15,16)

>  <InChI Key>
JVXCQBZATLABHQ-UHFFFAOYSA-N

