Mrv0541 02241204382D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  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  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D1914

> <DATABASE_NAME>
t3db

> <SMILES>
[NH4+].[O-][Cl](=O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3

> <INCHI_KEY>
HHEFNVCDPLQQTP-UHFFFAOYSA-N

> <FORMULA>
ClH4NO4

> <MOLECULAR_WEIGHT>
117.489

> <EXACT_MASS>
116.982885328

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.233355042576066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ammonium perchlorate

> <JCHEM_LOGP>
-0.09765369733333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.891996239864091

> <JCHEM_POLAR_SURFACE_AREA>
74.27

> <JCHEM_REFRACTIVITY>
11.9079

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ammonium perchlorate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1914

> <NAME>
Ammonium perchlorate

> <CAS>
7790-98-9

> <SYNONYMS>
Ammonium perchlorate (NH4ClO4); Ammonium perchloric acid; Perchloric acid, ammonium salt; PKHA

> <TYPES>
Inorganic Compound; Non-Metal; Food Toxin; Perchlorate; Lachrymator; Synthetic Compound

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