Mrv0541 02241219402D          

  9  7  0  0  0  0            999 V2000
   -1.1546    0.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    1.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946    1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1646   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -0.8246    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896    0.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012473

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)

> <INCHI_KEY>
DZHMRSPXDUUJER-UHFFFAOYSA-N

> <FORMULA>
CH7N2O5P

> <MOLECULAR_WEIGHT>
158.0504

> <EXACT_MASS>
158.009257856

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.80812731842249

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphoric acid; urea

> <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>
14.651900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
phosphoric acid; urea

> <JCHEM_VEBER_RULE>
0

> <NAME>
Urea phosphate (1:1)

> <CAS>
4861-19-2

> <SYNONYMS>
Urea phosphate salt

$$$$