9351
 OpenBabel05082101102D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.8024    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    4.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    3.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    3.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4 12  2  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9351

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
150

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAYAAAADADBGgQ9sNBiAACiAjJnYACSBAIggAIcuCAgRJgIIKKAkZGAoABwiAAIyAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
phthalazin-1-ylhydrazine;hydrochloride

>  <PUBCHEM_IUPAC_CAS_NAME>
1-phthalazinylhydrazine;hydrochloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
phthalazin-1-ylhydrazine;hydrochloride

>  <PUBCHEM_IUPAC_NAME>
phthalazin-1-ylhydrazine;hydrochloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phthalazin-1-yldiazane;hydrochloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phthalazin-1-ylhydrazine;hydrochloride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H

>  <PUBCHEM_IUPAC_INCHIKEY>
ZUXNZUWOTSUBMN-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
196.051574

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H9ClN4

>  <PUBCHEM_MOLECULAR_WEIGHT>
196.64

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=NN=C2NN.Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=NN=C2NN.Cl

>  <PUBCHEM_CACTVS_TPSA>
63.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.051574

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  13  8
3  4  8
3  8  8
4  12  8
6  7  8
6  8  8
6  9  8
7  10  8
7  12  8
9  11  8

$$$$
