Mrv0541 10141416362D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.7537   -0.3355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1486

> <DATABASE_NAME>
t3db

> <SMILES>
O[AlH]Cl

> <INCHI_IDENTIFIER>
InChI=1S/Al.ClH.H2O.H/h;1H;1H2;/q+2;;;/p-2

> <INCHI_KEY>
MTSHNTORJWMHCG-UHFFFAOYSA-L

> <FORMULA>
AlClH2O

> <MOLECULAR_WEIGHT>
80.45

> <EXACT_MASS>
79.960955834

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
6.037423903874489

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloroalumanol

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
1.2223

> <ALOGPS_LOGS>
0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.108419861283224

> <JCHEM_PKA_STRONGEST_BASIC>
-2.751377152674718

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
9.5009

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.08e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloroalumanol

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1486

> <NAME>
Aluminium chlorohydrate

> <CAS>
1327-41-9

> <SYNONYMS>
Aloxicoll; Aluminium chlorohydric acid; Aluminol ach; Aluminum chlorhydrate; Aluminum chlorhydroxide; Aluminum chloride hydroxide; Aluminum chloride hydroxide oxide, basic; Aluminum chloride oxide; Aluminum chloride, basic; Aluminum chlorohydrate (anhydrous); Aluminum chlorohydrol; Aluminum hydroxide chloride; Aluminum hydroxychloride; Aluminum oxychloride; Aquarhone 18; Astringen; Astringen 10; Banoltan white; Basic aluminum chloride; Basic aluminum chloride, hydrate; Berukotan ac-p; Cartafix la; Cawood 5025; Chlorhydrol; Chlorhydrol micro-DRY; Chlorhydrol micro-DRY suf; Dialuminium-chlorid-pentahydroxid; E 200 (coagulant); Gelsica; Hessidrex WT; Hydral; Hydrofugal; Kempac 10; Kempac 20; Kemwater PAX 14; Locron; Locron p; Locron s; OCAL; Oulupac 180; PAC; Pac (salt); PAC 250AD; PACK 300M; Paho 2S; PALC; Sansudor; Wickenol cps 325

> <TYPES>
Inorganic Compound; Aluminum Compound; Food Toxin; Household Toxin; Synthetic Compound

$$$$