Mrv1909 05222103452D          

  6  4  0  0  0  0            999 V2000
   -0.8032   -0.0071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388    0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -0.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    0.0177    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7100    0.0820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  CHG  2   5  -1   6   1
M  END
> <DATABASE_ID>
DB16608

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
BAZAXWOYCMUHIX-UHFFFAOYSA-M

> <FORMULA>
ClNaO4

> <MOLECULAR_WEIGHT>
122.44

> <EXACT_MASS>
121.9382805

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9999999999999913

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2333550435787615

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium perchlorate

> <ALOGPS_LOGP>
-0.95

> <JCHEM_LOGP>
-0.09765369733333332

> <ALOGPS_LOGS>
-0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.061066750225243

> <JCHEM_POLAR_SURFACE_AREA>
74.27

> <JCHEM_REFRACTIVITY>
11.9079

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.21e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adiphenine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB16608

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Sodium perchlorate

> <SYNONYMS>
Natriumperchloraat; Natriumperchlorat; Perchlorate de sodium; Perchloric acid, sodium salt

> <INTERNATIONAL_BRANDS>
Irenat

$$$$