Mrv1572004191602312D          

  6  5  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    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
    1.2375   -2.1434    0.0000 O   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  2  2  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008923

> <DATABASE_NAME>
chemdb

> <SMILES>
OCNC(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)

> <INCHI_KEY>
VGGLHLAESQEWCR-UHFFFAOYSA-N

> <FORMULA>
C2H6N2O2

> <MOLECULAR_WEIGHT>
90.082

> <EXACT_MASS>
90.042927441

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.010431881784108

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(C-hydroxycarbonimidoyl)amino]methanol

> <ALOGPS_LOGP>
-1.70

> <JCHEM_LOGP>
-2.4343811343453514

> <ALOGPS_LOGS>
-1.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.474886147709029

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.7649595819949218

> <JCHEM_PKA_STRONGEST_BASIC>
15.217222714254097

> <JCHEM_POLAR_SURFACE_AREA>
76.34

> <JCHEM_REFRACTIVITY>
30.0777

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(C-hydroxycarbonimidoylamino)methanol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Hydroxymethyl urea

> <CAS>
1000-82-4

> <SYNONYMS>
(hydroxymethyl)urea

$$$$