10648
  -OEChem-04232410242D

 33 34  0     1  0  0  0  0  0999 V2000
    6.7029    2.6520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676    1.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.1554    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6106    3.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2366    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2366    5.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    3.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426    4.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    2.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    3.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.2380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    5.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    5.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753    1.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    0.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702    0.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    5.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    3.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    4.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029    2.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
259

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAEAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAADBAAAAHAAQAAAADQDBGAQxAILAAACgAiJiJAACAAEgAAAJiIA4AIgIYCKAmRGUIAAgkACIiAcQgMAOgAAAAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-tetralin-1-yl-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1<I>H</I>-imidazole;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-tetralin-1-yl-2-imidazoline;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H

> <PUBCHEM_IUPAC_INCHIKEY>
BJORNXNYWNIWEY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
236.1080262

> <PUBCHEM_MOLECULAR_FORMULA>
C13H17ClN2

> <PUBCHEM_MOLECULAR_WEIGHT>
236.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C2=CC=CC=C2C1)C3=NCCN3.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(C2=CC=CC=C2C1)C3=NCCN3.Cl

> <PUBCHEM_CACTVS_TPSA>
24.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.1080262

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
14  16  8
15  16  8
4  10  3
7  11  8
7  9  8
9  14  8

$$$$