Mrv0541 02241217442D          

  7  7  0  0  0  0            999 V2000
   -0.6780    1.0648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470   -1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985   -0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    0.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  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  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB000468

> <DATABASE_NAME>
foodb

> <SMILES>
NC1CCOC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2

> <INCHI_KEY>
QJPWUUJVYOJNMH-UHFFFAOYSA-N

> <FORMULA>
C4H7NO2

> <MOLECULAR_WEIGHT>
101.1039

> <EXACT_MASS>
101.047678473

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.465128241694444

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-aminooxolan-2-one

> <ALOGPS_LOGP>
-1.39

> <JCHEM_LOGP>
-0.9011904176666667

> <ALOGPS_LOGS>
0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.329657478497863

> <JCHEM_POLAR_SURFACE_AREA>
52.32

> <JCHEM_REFRACTIVITY>
23.4142

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.95e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
HSLs

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB000468

> <GENERIC_NAME>
L-3-Aminodihydro-2(3H)-furanone

$$$$