Mrv1909 02092322482D          

  3  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Hf  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -2   2  -2   3   4
M  END
> <DATABASE_ID>
DB17508

> <DATABASE_NAME>
drugbank

> <SMILES>
[O--].[O--].[Hf+4]

> <INCHI_IDENTIFIER>
InChI=1S/Hf.2O/q+4;2*-2

> <INCHI_KEY>
WIHZLLGSGQNAGK-UHFFFAOYSA-N

> <FORMULA>
HfO2

> <MOLECULAR_WEIGHT>
210.49

> <EXACT_MASS>
211.93639

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-4.1036912103859217e-10

> <JCHEM_AVERAGE_POLARIZABILITY>
0.9475908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hafnium(4+) dioxidandiide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.699999999999998

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8000000000000003

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.1149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB17508

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Hafnium oxide

> <SYNONYMS>
Hafnium oxide-containing nanoparticles nbtxr3

$$$$