Mrv0541 02241204572D          

  9  8  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 Be  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  4   1  -1   2   1   7   1   8  -1
M  END
> <DATABASE_ID>
T3D0651

> <DATABASE_NAME>
t3db

> <SMILES>
[O-][N+](=O)O[Be]O[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Be.2NO3/c;2*2-1(3)4/q+2;2*-1

> <INCHI_KEY>
RFVVBBUVWAIIBT-UHFFFAOYSA-N

> <FORMULA>
BeN2O6

> <MOLECULAR_WEIGHT>
133.022

> <EXACT_MASS>
132.987817877

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
8.720206832485482

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(nitrooxy)beryllio nitrate

> <JCHEM_LOGP>
1.3384

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2539340808601969

> <JCHEM_POLAR_SURFACE_AREA>
110.1

> <JCHEM_REFRACTIVITY>
18.517200000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(nitrooxy)beryllio nitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0651

> <NAME>
Beryllium nitrate

> <CAS>
13597-99-4

> <SYNONYMS>
Be(NO3)2; Beryllium dinitrate; Beryllium nitric acid

> <TYPES>
Inorganic Compound; Beryllium Compound; Nitrite; Nitrate; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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