795
  -OEChem-11242523012D

  9  9  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
795

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
28.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAQAAAAAADBAgQtkBbJkACgABAnZAAAgC2REqAJQYAYMACASAAACAAQAAAIEAIAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
1H-imidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>H</I>-imidazole

> <PUBCHEM_IUPAC_NAME>
1H-imidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1H-imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
glyoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
RAXXELZNTBOGNW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.1

> <PUBCHEM_EXACT_MASS>
68.037448136

> <PUBCHEM_MOLECULAR_FORMULA>
C3H4N2

> <PUBCHEM_MOLECULAR_WEIGHT>
68.08

> <PUBCHEM_SMILES>
C1=CN=CN1

> <PUBCHEM_CONNECTIVITY_SMILES>
C1=CN=CN1

> <PUBCHEM_CACTVS_TPSA>
28.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
68.037448136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  3  8
1  4  8
2  4  8
2  5  8
3  5  8

$$$$
