Mrv0541 02231216432D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 O   0  5  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  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  CHG  1   1  -1
M  END
> <DATABASE_ID>
DB03138

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
VLTRZXGMWDSKGL-UHFFFAOYSA-M

> <FORMULA>
ClO4

> <MOLECULAR_WEIGHT>
99.451

> <EXACT_MASS>
98.948511195

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9999999999999913

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2333550394006885

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
perchlorate

> <ALOGPS_LOGP>
-0.96

> <JCHEM_LOGP>
-0.09765369733333332

> <ALOGPS_LOGS>
-0.53

> <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>
3.47e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03138

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02010

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Perchlorate

> <SYNONYMS>
Perchlorate Ion

$$$$