11174
  -OEChem-05142414262D

 11 10  0     0  0  0  0  0  0999 V2000
    2.0000    0.5950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  CHG  2   1  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
11174

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
96.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAcAAAAAAAAAAABAABAQAAhAAAAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-nitroguanidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-nitroguanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-nitroguanidine

> <PUBCHEM_IUPAC_NAME>
2-nitroguanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-nitroguanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-nitroguanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
IDCPFAYURAQKDZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1

> <PUBCHEM_EXACT_MASS>
104.03342538

> <PUBCHEM_MOLECULAR_FORMULA>
CH4N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
104.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=N[N+](=O)[O-])(N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=N[N+](=O)[O-])(N)N

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
104.03342538

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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

$$$$