Mrv0541 02241205402D          

  6  5  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
  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
  4  6  2  0  0  0  0
M  CHG  4   1  -1   2   1   4   1   5  -1
M  END
> <DATABASE_ID>
T3D3559

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/N2O4/c3-1(4)2(5)6

> <INCHI_KEY>
WFPZPJSADLPSON-UHFFFAOYSA-N

> <FORMULA>
N2O4

> <MOLECULAR_WEIGHT>
92.011

> <EXACT_MASS>
91.985806498

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.847919177733814

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dinitrogen tetroxide

> <JCHEM_LOGP>
3.335472773333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
91.63999999999999

> <JCHEM_REFRACTIVITY>
12.780000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dinitrogen tetroxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3559

> <NAME>
Dinitrogen tetroxide

> <CAS>
10544-72-6

> <SYNONYMS>
Dinitrogen tetraoxide; Distickstofftetroxid; Nitrogen tetraoxide; Nitrogen tetroxide; O2NNO2; [N(NO2)O2]

> <TYPES>
Inorganic Compound; Non-Metal; Nitrate; Industrial/Workplace Toxin; Synthetic Compound

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