
 CHEMBL258007

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.4888    0.8963   -0.2437 C   0  0  0  0  0
   -2.5603   -0.5307    0.2886 C   0  0  0  0  0
   -1.3680   -1.3828   -0.1828 C   0  0  0  0  0
   -0.0387   -0.6481   -0.0787 C   0  0  0  0  0
    1.1627   -1.3758   -0.1690 C   0  0  0  0  0
    2.3983   -0.7347   -0.0776 C   0  0  0  0  0
    2.4535    0.6422    0.1085 C   0  0  0  0  0
    1.2735    1.3785    0.2002 C   0  0  0  0  0
    0.0227    0.7480    0.0986 C   0  0  0  0  0
   -1.2215    1.5881    0.2466 C   0  0  0  0  0
   -1.6151   -1.9316   -1.5668 C   0  0  0  0  0
   -1.8248   -1.2557   -2.6803 N   0  0  0  0  0
   -2.0015   -2.1915   -3.6640 C   0  0  0  0  0
   -1.9152   -3.4601   -3.1470 C   0  0  0  0  0
   -1.6702   -3.2838   -1.8144 N   0  0  0  0  0
   -3.3657    1.4634    0.0895 H   0  0  0  0  0
   -2.5140    0.8966   -1.3391 H   0  0  0  0  0
   -3.5107   -0.9925   -0.0058 H   0  0  0  0  0
   -2.5596   -0.4909    1.3865 H   0  0  0  0  0
   -1.3140   -2.2345    0.5112 H   0  0  0  0  0
    1.1429   -2.4520   -0.3209 H   0  0  0  0  0
    3.3168   -1.3095   -0.1562 H   0  0  0  0  0
    3.4141    1.1451    0.1798 H   0  0  0  0  0
    1.3312    2.4548    0.3488 H   0  0  0  0  0
   -1.3352    1.8373    1.3092 H   0  0  0  0  0
   -1.1025    2.5307   -0.3013 H   0  0  0  0  0
   -2.1837   -1.9001   -4.6902 H   0  0  0  0  0
   -2.0021   -4.4385   -3.5967 H   0  0  0  0  0
   -1.5497   -4.0140   -1.1265 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL258007

>  <PubChem CID>
17804479

>  <Formula>
C13H14N2

>  <Molecular Weight>
198.269000

>  <IUPAC Name>
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC(C2=CC=CC=C2C1)C3=NC=CN3

>  <Isomeric SMILES>
C1CC(C2=CC=CC=C2C1)C3=NC=CN3

>  <InChI Std. ID>
InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)

>  <InChI Key>
BLXFHJKHZWXNDP-UHFFFAOYSA-N

