Mrv1572004221603522D          

 10  8  0  0  0  0            999 V2000
    1.9708    0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -0.8732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    0.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    0.6662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -0.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -0.1588    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017343

> <DATABASE_NAME>
chemdb

> <SMILES>
N.CCOP(O)(=O)C(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3

> <INCHI_KEY>
OTSAMNSACVKIOJ-UHFFFAOYSA-N

> <FORMULA>
C3H11N2O4P

> <MOLECULAR_WEIGHT>
170.105

> <EXACT_MASS>
170.04564384

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
12.464773965516681

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[ethoxy(hydroxy)phosphoryl]methanimidic acid amine

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-1.2086608977704347

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.090013874790111

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.385383046761631

> <JCHEM_PKA_STRONGEST_BASIC>
6.533390225000699

> <JCHEM_POLAR_SURFACE_AREA>
90.61

> <JCHEM_REFRACTIVITY>
41.0628

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[ethoxy(hydroxy)phosphoryl]methanimidic acid amine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Fosamine ammonium

> <CAS>
25954-13-6

> <SYNONYMS>
ammonium ethyl carbamoylphosphonate

$$$$