Mrv1572004191601232D          

  3  2  0  0  0  0            999 V2000
    1.9520   -1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
M  RAD  1   3   2
M  END
> <DATABASE_ID>
CHEM004477

> <DATABASE_NAME>
chemdb

> <SMILES>
[O]N=O

> <INCHI_IDENTIFIER>
InChI=1S/NO2/c2-1-3

> <INCHI_KEY>
JCXJVPUVTGWSNB-UHFFFAOYSA-N

> <FORMULA>
NO2

> <MOLECULAR_WEIGHT>
46.005

> <EXACT_MASS>
45.992903244

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.4448587770475987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitrosooxidanyl

> <JCHEM_LOGP>
0.25112298

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
29.43

> <JCHEM_REFRACTIVITY>
7.6

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrogen dioxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Nitrogen dioxide

> <CAS>
10102-44-0

> <SYNONYMS>
Aromatic nitro compound (generic); Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, nitro derivs.; Nitrogen oxide (NO2)

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