Mrv0541 02241205202D          

 26 20  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821    0.0000    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    6.4821    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3071    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.3000    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3071   -4.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3071   -3.3000    0.0000 Al  0  5  0  0  0  0  0  0  0  0  0  0
    7.3071   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1321   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  6   1   1   3  -1   8  -1  13  -1  18  -1  23  -1
M  END
> <DATABASE_ID>
T3D1499

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].F[Al-](F)(F)F.F[Al-](F)(F)F.F[Al-](F)(F)F.F[Al-](F)(F)F.F[Al-](F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/5Al.20FH.K/h;;;;;20*1H;/q5*+3;;;;;;;;;;;;;;;;;;;;;+1/p-20

> <INCHI_KEY>
BREVNMAGNRFATA-UHFFFAOYSA-A

> <FORMULA>
Al5F20K

> <MOLECULAR_WEIGHT>
553.9741

> <EXACT_MASS>
553.839463166

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.373397759166586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium pentakis(tetrafluoroalumanuide)

> <JCHEM_LOGP>
2.8200000000000003

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
6.0052

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
potassium pentakis(tetrafluoroaluminate ion)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1499

> <NAME>
Potassium aluminium fluoride

> <CAS>
14484-69-6

> <SYNONYMS>
KAlF4; Potassium tetrafluoroaluminate

> <TYPES>
Inorganic Compound; Aluminum Compound; Industrial/Workplace Toxin; Synthetic Compound

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