Mrv0541 02241219302D          

 17 12  0  0  0  0            999 V2000
   -1.8266   -2.6219    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -1.8266   -0.4415    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0013   -0.4415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1772   -0.4415    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0013   -1.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -0.5598    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0626   -0.5598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8874   -0.5598    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0626   -1.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    0.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8874   -2.5630    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -1.8266    1.7972    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0013    1.7972    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1772    1.7972    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    2.6219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
M  CHG  8   1   3   2  -1   4  -1   7  -1   9  -1  12   3  13  -1  15  -1
M  END
> <DATABASE_ID>
DB11239

> <DATABASE_NAME>
drugbank

> <SMILES>
[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

> <INCHI_KEY>
DIZPMCHEQGEION-UHFFFAOYSA-H

> <FORMULA>
Al2O12S3

> <MOLECULAR_WEIGHT>
342.151

> <EXACT_MASS>
341.818264416

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) trisulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11239

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Aluminum sulfate

> <SYNONYMS>
Aluminium sulfate; Aluminium sulfate anhydrous; Aluminum sulfate anhydrous; Aluminum sulphate anhydrous; Dialuminum sulfate; Dialuminum trisulfate

> <PRODUCTS>
Aluminum Acetate Astringent; Assured; Astringent; Astringent Solution; Domeboro; Gingi-Aid MAX Z-Twist 00; Gingi-Aid MAX Z-Twist 1; Gingi-Aid MAX Z-Twist 2; Gingi-Aid MAX Z-Twist 3; HIS Styptic Pencil; Kerasal Athletes Foot Rapid Symptom Relief Medicated Soak; KutKit; Nick Relief; Pascord 7 0.48mg/2.54cm; Rastringent II 250mg/ml; Shaving Factory Disposable Styptic Pencil; Sil Trax As No 10; Sil Trax As No 8; Stingose Asp 373mg/ml; Stingose Gel 20%; Styptic Pencil Stick 42.0%; Styptocaine; Trim Men Styptic Pencil

> <SALTS>
Aluminum sulfate hydrate; Aluminum sulfate tetradecahydrate

$$$$