407448
  -OEChem-04242409012D

 22 23  0     0  0  0  0  0  0999 V2000
    3.4030   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -0.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
407448

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
147

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHAAYAAAADAiBGAAwwMBiAACAAiRCQACCBAAgAgIYqAAAZIgIICKAkZGAIABgkAAIyAcQgIAOiAAAQAAQAAAQAACAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-naphthylhydrazine

> <PUBCHEM_IUPAC_CAS_NAME>
2-naphthalenylhydrazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
naphthalen-2-ylhydrazine

> <PUBCHEM_IUPAC_NAME>
naphthalen-2-ylhydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
naphthalen-2-yldiazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-naphthylhydrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10N2/c11-12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
VNICRWVQYFRWDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
158.084398327

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
158.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)NN

> <PUBCHEM_CACTVS_TPSA>
38

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
158.084398327

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
10  12  8
11  12  8
3  4  8
3  5  8
3  8  8
4  10  8
4  7  8
5  6  8
6  9  8
7  9  8
8  11  8

$$$$
