Mrv1718011041807562D          

  9  4  0  0  0  0            999 V2000
   -0.5598    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    0.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598    1.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7973    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6223    0.8250    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.6223    0.7059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0410   -1.5394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3160   -1.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
M  CHG  4   5  -1   6   3   7  -1   8  -1
M  END
> <DATABASE_ID>
DB13626

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
UTUUIUQHGDRVPU-UHFFFAOYSA-K

> <FORMULA>
C2H8AlNO5

> <MOLECULAR_WEIGHT>
153.07

> <EXACT_MASS>
153.0217859

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
6.2458071632050665

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) 2-aminoacetate hydrate dihydroxide

> <ALOGPS_LOGP>
-1.21

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
-0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727404

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
66.15

> <JCHEM_REFRACTIVITY>
26.8405

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aluminium(3+) aminoacetate hydrate dihydroxide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13626

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Aluminium glycinate

> <SYNONYMS>
Aluminio glicinato; Aluminum glycinate; Dihydroxyaluminum aminoacetate

$$$$