Mrv0541 02241221252D          

  6  4  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025545

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O.CH2O/c2-1(3)4;1-2/h(H4,2,3,4);1H2

> <INCHI_KEY>
ODGAOXROABLFNM-UHFFFAOYSA-N

> <FORMULA>
C2H6N2O2

> <MOLECULAR_WEIGHT>
90.0812

> <EXACT_MASS>
90.042927446

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
5.103029304550036

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
formaldehyde; urea

> <JCHEM_LOGP>
-1.3638338616666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.731965106806726

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3686972237578967

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
13.1426

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
formaldehyde; urea

> <JCHEM_VEBER_RULE>
0

> <NAME>
Resin

$$$$