Mrv0541 02241204082D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11081

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl[Al](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3

> <INCHI_KEY>
VSCWAEJMTAWNJL-UHFFFAOYSA-K

> <FORMULA>
AlCl3

> <MOLECULAR_WEIGHT>
133.341

> <EXACT_MASS>
131.888096562

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.488405258632795

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloroalumane

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
1.6534999999999997

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.408900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11081

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Aluminum chloride

> <SYNONYMS>
Aluminium chloride

> <PRODUCTS>
Aarica; Anti-perspirant Roll-ON Deod; Antiperspirant Towlette; Aquastop Liq; Arrid Cream; CERTAIN DRI Roll-On; Certain Dri Roll-ON; Clinical Strength MiracleDry Antiperspirant Deodorant PM; Denti-care Hemostatic Solution; Dr Sweat; Duradry PM; Frenna AC; Gibson Healthcare Buffered Hemostatic Solution; Gingi Aid 10%; Gingi Aid 25%; Gingi Aid Dark Braid #2; Gingi Aid Dark Braid #3; Gingi-Aid Solution; Gingigel Gel 200mg/gm; Hand Antiperspirant Nightly Use; Hemal; Hemoban; Hemogin L Hemostatic Liq 25%; Hemostat; Hemostatic Solution; Hemox A; Hydrosal Professional; Hypercare; Lexxel Ids; Lumicain; Mitchum Anti Perspirant Crm Scented; Mitchum Antipersp Crm Unscented; Ms Hemostatic; NRG Hemo-Stat; Purax; Purax Pure Pads; Racestyptine Cord; Racestyptine Sol; Scotts Select NEPHRO-stat; Sulpak II; Sweatblock; Topical Hemo-Stat; Urban Street Ocean Breeze; Xerac AC; Xeransis; Youth Dew Roll On Antipersp Deod Lot; Zero Sweat; ZeroSweat 3 DAY PROTECTION ANTIPERSPIRANT; ZeroSweat with Aloe

> <SALTS>
Aluminium chloride hexahydrate

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