Mrv1572004161621422D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009373

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.O.[Cr]

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

> <INCHI_KEY>
LXMQZGGLHVSEBA-UHFFFAOYSA-N

> <FORMULA>
CrH6O3

> <MOLECULAR_WEIGHT>
106.041

> <EXACT_MASS>
105.9722

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chromium trihydrate

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-0.156

> <ALOGPS_LOGS>
0.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.57e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromium trihydrate

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chromium oxide

> <CAS>
11118-57-3

$$$$