Mrv1572004221603272D          

  6  4  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017002

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H

> <INCHI_KEY>
AQLJVWUFPCUVLO-UHFFFAOYSA-N

> <FORMULA>
CH6N2O3

> <MOLECULAR_WEIGHT>
94.07

> <EXACT_MASS>
94.037842061

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
5.118822376158211

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbamimidic acid; peroxol

> <ALOGPS_LOGP>
-1.50

> <JCHEM_LOGP>
-2.1319894966808257

> <ALOGPS_LOGS>
-0.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.5521526267772052

> <JCHEM_PKA_STRONGEST_BASIC>
15.000000000727663

> <JCHEM_POLAR_SURFACE_AREA>
70.10000000000001

> <JCHEM_REFRACTIVITY>
24.2013

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen peroxide; β-I-k

> <JCHEM_VEBER_RULE>
0

> <NAME>
Carbamide peroxide

> <CAS>
124-43-6

> <SYNONYMS>
peroxol; urea

$$$$