52789
  -OEChem-05241306012D

 15 14  0     0  0  0  0  0  0999 V2000
    3.7320   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52789

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAYAAAACCjBAAQCAABiAAAAAAAAAAAAAAAAAAIQIIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
isopropylhydrazine

> <PUBCHEM_IUPAC_CAS_NAME>
propan-2-ylhydrazine

> <PUBCHEM_IUPAC_NAME>
propan-2-ylhydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
propan-2-yldiazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
isopropylhydrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H10N2/c1-3(2)5-4/h3,5H,4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KJAQRHMKLVGSCG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
74.084398

> <PUBCHEM_MOLECULAR_FORMULA>
C3H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
74.1249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NN

> <PUBCHEM_CACTVS_TPSA>
38

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
74.084398

> <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

$$$$