Mrv1572004221606002D          

  7  5  0  0  0  0            999 V2000
   -0.7145    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM019686

> <DATABASE_NAME>
chemdb

> <SMILES>
CCN.ON(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H7N.HNO3/c1-2-3;2-1(3)4/h2-3H2,1H3;(H,2,3,4)

> <INCHI_KEY>
NWMKOQWBSZQAMG-UHFFFAOYSA-N

> <FORMULA>
C2H8N2O3

> <MOLECULAR_WEIGHT>
108.097

> <EXACT_MASS>
108.053492126

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
3.550332026198265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethanamine; nitric acid

> <ALOGPS_LOGP>
0.55

> <JCHEM_LOGP>
0.02841376366666668

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.3999999999999995

> <JCHEM_PKA_STRONGEST_BASIC>
-9.972159999999999

> <JCHEM_POLAR_SURFACE_AREA>
66.05000000000001

> <JCHEM_REFRACTIVITY>
10.473

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylamine; nitric acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ethylammonium nitrate

> <CAS>
22113-86-6

$$$$