Mrv1572004251605422D          

  8  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009085

> <DATABASE_NAME>
chemdb

> <SMILES>
N.N.N.OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4)

> <INCHI_KEY>
ZRIUUUJAJJNDSS-UHFFFAOYSA-N

> <FORMULA>
H12N3O4P

> <MOLECULAR_WEIGHT>
149.087

> <EXACT_MASS>
149.056542876

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
5.8081273184224855

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphoric acid triamine

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
77.75999999999999

> <JCHEM_REFRACTIVITY>
14.6519

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
phosphoric acid triamine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tri-Ammonium phosphate trihydrate

> <CAS>
10361-65-6

$$$$