Mrv1533004191516292D          

  8  8  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003975

> <DATABASE_NAME>
chemdb

> <SMILES>
O=NN1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2

> <INCHI_KEY>
ZKXDGKXYMTYWTB-UHFFFAOYSA-N

> <FORMULA>
C4H8N2O2

> <MOLECULAR_WEIGHT>
116.12

> <EXACT_MASS>
116.058577506

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
10.919425995237926

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-nitrosomorpholine

> <ALOGPS_LOGP>
-0.61

> <JCHEM_LOGP>
-0.17988662933333335

> <ALOGPS_LOGS>
-0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.1448729139579634

> <JCHEM_POLAR_SURFACE_AREA>
41.900000000000006

> <JCHEM_REFRACTIVITY>
29.124999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.28e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-nitrosomorpholine

> <JCHEM_VEBER_RULE>
0

> <NAME>
N-Nitrosomorpholine

> <CAS>
59-89-2

> <SYNONYMS>
4-nitrosomorpholine; <i>N</i>-Nitrosomorpholine; NMOR

$$$$