
 CHEMBL98471

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.0016    0.1181    0.0355 C   0  0  0  0  0
    2.5008    0.1002   -0.0056 C   0  0  0  0  0
    3.2388    1.2916   -0.0009 C   0  0  0  0  0
    4.6425    1.2771   -0.0611 C   0  0  0  0  0
    5.3137    0.0460   -0.1296 C   0  0  0  0  0
    6.8152   -0.0222   -0.2145 C   0  0  0  0  0
    7.4075    1.2342   -0.8474 C   0  0  0  0  0
    6.9154    2.4981   -0.1346 C   0  0  0  0  0
    5.3793    2.5978   -0.1347 C   0  0  0  0  0
    7.5670    3.7755   -0.7456 C   0  0  0  0  0
    8.5115    4.3304    0.2715 N   0  0  0  0  0
    8.3151    3.5888    1.3132 C   0  0  0  0  0
    7.4745    2.5314    1.2114 N   0  0  0  0  0
    4.5763   -1.1453   -0.0885 C   0  0  0  0  0
    3.1829   -1.1184   -0.0323 C   0  0  0  0  0
    0.6076    1.1226   -0.1522 H   0  0  0  0  0
    0.6469   -0.2142    1.0161 H   0  0  0  0  0
    0.5928   -0.5424   -0.7370 H   0  0  0  0  0
    2.7131    2.2448    0.0281 H   0  0  0  0  0
    7.2160   -0.1698    0.7957 H   0  0  0  0  0
    7.1174   -0.8885   -0.8149 H   0  0  0  0  0
    8.5024    1.1654   -0.8150 H   0  0  0  0  0
    7.1225    1.2777   -1.9071 H   0  0  0  0  0
    5.0561    3.0726   -1.0705 H   0  0  0  0  0
    5.0436    3.2383    0.6913 H   0  0  0  0  0
    6.8214    4.5497   -0.9645 H   0  0  0  0  0
    8.1115    3.5616   -1.6715 H   0  0  0  0  0
    8.8070    3.7323    2.2895 H   0  0  0  0  0
    6.9103    2.2489    2.0046 H   0  0  0  0  0
    5.0855   -2.1064   -0.1179 H   0  0  0  0  0
    2.6323   -2.0563   -0.0211 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5 14  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 13  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL98471

>  <PubChem CID>
10198108

>  <Formula>
C13H16N2

>  <Molecular Weight>
200.285000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC2=C(CCC3(C2)CN=CN3)C=C1

>  <Isomeric SMILES>
CC1=CC2=C(CCC3(C2)CN=CN3)C=C1

>  <InChI Std. ID>
InChI=1S/C13H16N2/c1-10-2-3-11-4-5-13(7-12(11)6-10)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)

>  <InChI Key>
NRGOCGDSGZTYDK-UHFFFAOYSA-N

