Mrv0541 12021413022D          

  4  3  0  0  0  0            999 V2000
    0.6187    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    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  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1454

> <DATABASE_NAME>
t3db

> <SMILES>
O[Cr](O)O

> <INCHI_IDENTIFIER>
InChI=1S/Cr.3H2O/h;3*1H2/q+3;;;/p-3

> <INCHI_KEY>
VQWFNAGFNGABOH-UHFFFAOYSA-K

> <FORMULA>
CrH3O3

> <MOLECULAR_WEIGHT>
103.0181

> <EXACT_MASS>
102.948730866

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
5.732262743314633

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chromiumtriol

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-2.358599999999999

> <ALOGPS_LOGS>
0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.939853713707706

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.939853713707706

> <JCHEM_PKA_STRONGEST_BASIC>
-1.035786730904587

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
7.6937999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.63e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromiumtriol

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1454

> <NAME>
Chromium trihydroxide

> <CAS>
1308-14-1

> <SYNONYMS>
Chromic (III) hydroxide; Chromic hydroxide; Chromic oxide gel; Chromic oxide, hydrous; Chromium(3+) hydroxide; Dichromium trioxide hydrate

> <TYPES>
Inorganic Compound; Chromium Compound; Pollutant; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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