Mrv0541 02241204062D          

 11  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0320   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3175   -3.7125    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -2.4750    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2219   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   9  -1
M  END
> <DATABASE_ID>
T3D0700

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.2H3N.7O/h;;2*1H3;;;;;;;/q;;;;;;;;;2*-1/p+2

> <INCHI_KEY>
JOSWYUNQBRPBDN-UHFFFAOYSA-P

> <FORMULA>
Cr2H8N2O7

> <MOLECULAR_WEIGHT>
252.0649

> <EXACT_MASS>
251.914174428

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
11.082540017698836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium [(oxidodioxochromio)oxy]chromiumoylolate

> <JCHEM_LOGP>
-3.7067999999999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.001437278802403

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.340681126625974

> <JCHEM_POLAR_SURFACE_AREA>
123.63

> <JCHEM_REFRACTIVITY>
10.0076

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diammonium chromate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0700

> <NAME>
Ammonium dichromate

> <CAS>
7789-09-5

> <SYNONYMS>
(NH4)2CrO7; Ammonium bichromate; Ammonium dichromate (VI); Ammonium dichromic acid; Diammonium dichromate

> <TYPES>
Inorganic Compound; Chromium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

$$$$