9576789
  -OEChem-10191523032D

 31 32  0     0  0  0  0  0  0999 V2000
    5.5259   -1.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -1.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935   -2.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472   -3.0935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150   -2.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    1.6768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9642    1.9344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    0.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    0.9775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.6828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9862   -3.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076   -2.0939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3398   -3.6828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5405   -2.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  2  0  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  2  0  0  0  0
  4 16  2  0  0  0  0
  4 27  1  0  0  0  0
  5 17  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9576789

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
368

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHAAYAAAADAiBGAAxAIBAAACgAyJiIACCAACgAAAIiAAwBJgIIKKAkRGAIABggAAIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1E)-1-(diaminomethylenehydrazono)indane-4-carboxamidine

> <PUBCHEM_IUPAC_CAS_NAME>
(1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide

> <PUBCHEM_IUPAC_NAME>
(1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1E)-1-[bis(azanyl)methylidenehydrazinylidene]-2,3-dihydroindene-4-carboximidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1E)-1-(diaminomethylenehydrazono)indane-4-carboxamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+

> <PUBCHEM_IUPAC_INCHIKEY>
CYPGNVSXMAUSJY-CXUHLZMHSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
230.127994

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14N6

> <PUBCHEM_MOLECULAR_WEIGHT>
230.26906

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=NN=C(N)N)C2=C1C(=CC=C2)C(=N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C/C(=N\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N

> <PUBCHEM_CACTVS_TPSA>
127

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.127994

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
12  14  8
13  15  8
14  15  8
8  10  8
8  12  8

$$$$