Mrv1572004251606202D          

  8  0  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
    3.1821    0.0000    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.5393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <DATABASE_ID>
CHEM009583

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.O.O.O.[Al].[Al+].[Cl-]

> <INCHI_IDENTIFIER>
InChI=1S/2Al.ClH.5H2O/h;;1H;5*1H2/q;+1;;;;;;/p-1

> <INCHI_KEY>
KMZVLRWDRFTSPT-UHFFFAOYSA-M

> <FORMULA>
Al2ClH10O5

> <MOLECULAR_WEIGHT>
179.49

> <EXACT_MASS>
178.9847531

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ¹-alumanylium alumane pentahydrate chloride

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
1.4499999999999997

> <ALOGPS_LOGS>
0.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ¹-alumanylium alumane pentahydrate chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Aluminum chloride hydroxide (Al2Cl(OH)5)

> <CAS>
12042-91-0

$$$$