Mrv1652306222023342D          

  4  3  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 N   0  0  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
    1.2375   -0.7145    0.0000 O   0  0  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
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
T3D0216

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/NO3/c2-1(3)4/q-1

> <INCHI_KEY>
NHNBFGGVMKEFGY-UHFFFAOYSA-N

> <FORMULA>
NO3

> <MOLECULAR_WEIGHT>
62.0049

> <EXACT_MASS>
61.987817871

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
3.275441232355817

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitrate

> <JCHEM_LOGP>
0.8368003898615884

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_BASIC>
-9.93762264919614

> <JCHEM_POLAR_SURFACE_AREA>
66.2

> <JCHEM_REFRACTIVITY>
8.347100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0216

> <NAME>
Nitrate

> <CAS>
14797-55-8

> <SYNONYMS>
Nitrate ion; Nitrate(1-); Nitric acid; Trioxidonitrate; Trioxidonitrate(1-); Trioxonitrate; Trioxonitrate(1-)

> <TYPES>
Inorganic Compound; Pesticide; Non-Metal; Nitrite; Nitrate; Food Toxin; Metabolite; Household Toxin; Natural Compound

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