Mrv0541 02241219202D          

  7  4  0  0  0  0            999 V2000
    0.0000    0.0416    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8659    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6909    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325   -1.6909    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7325   -1.6909    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  CHG  4   1  -1   3  -1   6   1   7   1
M  END
> <DATABASE_ID>
FDB016245

> <DATABASE_NAME>
foodb

> <SMILES>
[NH4+].[NH4+].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)

> <INCHI_KEY>
BFNBIHQBYMNNAN-UHFFFAOYSA-N

> <FORMULA>
H8N2O4S

> <MOLECULAR_WEIGHT>
132.14

> <EXACT_MASS>
132.020477444

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diammonium sulfate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB016245

> <GENERIC_NAME>
Ammonium sulfate

$$$$