Mrv1572004251602542D          

  7  6  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   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
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM021248

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)

> <INCHI_KEY>
SQSPRWMERUQXNE-UHFFFAOYSA-N

> <FORMULA>
C2H6N4O

> <MOLECULAR_WEIGHT>
102.097

> <EXACT_MASS>
102.054160829

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
8.91025621097004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-carbamimidoylcarbamimidic acid

> <ALOGPS_LOGP>
-1.81

> <JCHEM_LOGP>
-2.371571322339684

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-4.613836357479831

> <JCHEM_PKA_STRONGEST_BASIC>
15.00224800309836

> <JCHEM_POLAR_SURFACE_AREA>
105.98

> <JCHEM_REFRACTIVITY>
44.9159

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.57e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-carbamimidoylcarbamimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Guanylurea

$$$$