Mrv1909 09232017412D          

 41  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7767    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.9589    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.1410    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.3232    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.9517    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    9.1339    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   12.3160    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   15.4982    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   10.3714   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   13.6714   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   10.3125   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   13.6125   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   15.9696   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.2392   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.3589   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    4.4785   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.5982   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -6.6000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.2392   -6.6000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.3589   -6.6000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    9.5464   -1.6500    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
   12.8464   -1.6500    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1   6   1  11  -2  12  -2
M  CHG  8  13  -2  14  -2  15  -2  16  -2  17  -2  18  -2  19  -2  20  -2
M  CHG  8  21  -2  22  -2  23  -2  24  -2  25  -2  26  -2  27  -2  28  -2
M  CHG  8  29  -2  30  -2  31  -2  32  -2  33  -2  34  -2  35   6  36   6
M  CHG  5  37   6  38   6  39   6  40   6  41   6
M  END
> <DATABASE_ID>
DB11128

> <DATABASE_NAME>
drugbank

> <SMILES>
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6]

> <INCHI_IDENTIFIER>
InChI=1S/7Mo.6H3N.4H2O.24O/h;;;;;;;6*1H3;4*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q7*+6;;;;;;;;;;;24*-2/p+6

> <INCHI_KEY>
FZDJSHPVOMNEIF-UHFFFAOYSA-T

> <FORMULA>
H32Mo7N6O28

> <MOLECULAR_WEIGHT>
1235.92

> <EXACT_MASS>
1249.464289

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9864452467847236

> <JCHEM_AVERAGE_POLARIZABILITY>
2.380178155685953

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
heptamolybdenum(6+) hexaammonium tetrahydrate tetracosaoxidandiide

> <JCHEM_LOGP>
-0.9779999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.861981369487705

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.3149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11128

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Ammonium molybdate

> <SYNONYMS>
Ammonium molybdate; Ammonium molybdate tetrahydrate; Ammonium molybdate(VI) tetrahydrate; Ammonium paramolybdate tetrahydrate; Hexaammonium heptamolybdate tetrahydrate; Hexaammonium molybdate tetrahydrate; Molybdenum (as ammonium molybdate)

> <PRODUCTS>
Ammonium Molybdate

$$$$