Mrv1572004221605042D          

 15 12  0  0  0  0            999 V2000
   -0.2475    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650    0.8574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132    0.8574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382   -0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132   -0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -3.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0466    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  6  1  0  0  0  0
 10  9  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018696

> <DATABASE_NAME>
chemdb

> <SMILES>
NNC(N)=N.NNC(N)=N.OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)

> <INCHI_KEY>
VKGQPUZNCZPZKI-UHFFFAOYSA-N

> <FORMULA>
C2H14N8O4S

> <MOLECULAR_WEIGHT>
246.25

> <EXACT_MASS>
246.085872137

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
6.892945980904637

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(N-aminoguanidine); sulfuric acid

> <ALOGPS_LOGP>
-2.44

> <JCHEM_LOGP>
-1.4684813746666663

> <ALOGPS_LOGS>
-0.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.01256734572811

> <JCHEM_POLAR_SURFACE_AREA>
87.92

> <JCHEM_REFRACTIVITY>
40.8357

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(aminoguanidine); sulfuric acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Aminoguanidine hemisulfate

> <CAS>
996-19-0

$$$$