Mrv1572004101616582D          

  6  4  0  0  0  0            999 V2000
    0.5833    0.5833    0.0000 Tc  0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    0.9532    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.1667    1.1667    0.0000 O   0  5  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
    0.0000    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <DATABASE_ID>
DBSALT002467

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Na.4O.Tc/q+1;;;;-1;

> <INCHI_KEY>
MKADDTFVKFMZGF-UHFFFAOYSA-N

> <FORMULA>
NaO4Tc

> <MOLECULAR_WEIGHT>
183.99

> <EXACT_MASS>
183.97

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
6.0758176580462155

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium technetiumoylolate

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-1.5904

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
74.27

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.94e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium technetiumoylolate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002467

> <NAME>
Technetium Tc-99m sodium pertechnetate

> <DRUG_DRUGBANK_ID>
DB09314

> <DRUG_NAME>
Technetium Tc-99m pertechnetate

> <CAS_NUMBER>
23288-60-0

> <UNII>
A0730CX801

$$$$