1375
  Mrv0541 02231215242D          

  8  5  0  0  0  0            999 V2000
    2.6203   -0.0152    0.0000 Al  0  0  0  0  0  1  0  0  0  0  0  0
    3.3350    0.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203   -0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494   -0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4784   -0.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    0.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494   -0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1501

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.NCC(=O)O[Al]

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1

> <INCHI_KEY>
RBNPZEHAODHBPZ-UHFFFAOYSA-M

> <FORMULA>
C2H8AlNO4

> <MOLECULAR_WEIGHT>
137.0708

> <EXACT_MASS>
137.02687119

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
8.338129382548987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2-aminoacetyl)oxy]alumanylidene dihydrate

> <JCHEM_LOGP>
0.49019999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.187199589588061

> <JCHEM_POLAR_SURFACE_AREA>
52.32

> <JCHEM_REFRACTIVITY>
15.0758

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2-aminoacetyl)oxy]alumanylidene dihydrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1501

> <NAME>
Dihydroxyaluminium

> <CAS>
13682-92-3

> <SYNONYMS>
Alumanyl 2-aminoacetate dihydrate; Dihydroxyaluminum aminoacetate

> <TYPES>
Organic Compound; Amine; Aluminum Compound; Organometallic; Drug; Metabolite; Synthetic Compound

$$$$