Mrv0541 02241205422D          

  6  5  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1916

> <DATABASE_NAME>
t3db

> <SMILES>
[Li]O[Cl](=O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/ClHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1

> <INCHI_KEY>
MHCFAGZWMAWTNR-UHFFFAOYSA-M

> <FORMULA>
ClLiO4

> <MOLECULAR_WEIGHT>
106.392

> <EXACT_MASS>
105.964515244

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
7.157783910335523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lithio perchlorate

> <JCHEM_LOGP>
-0.14850000000000008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
60.440000000000005

> <JCHEM_REFRACTIVITY>
11.8152

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lithio perchlorate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1916

> <NAME>
Lithium perchlorate

> <CAS>
7791-03-9

> <SYNONYMS>
(+)-validoxylamine-a; Lithium perchloric acid; Validoxylamine a

> <TYPES>
Inorganic Compound; Food Toxin; Perchlorate; Lachrymator; Industrial/Workplace Toxin; Synthetic Compound

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