614
  Mrv1652307191923542D          

 16 17  0  0  0  0            999 V2000
    7.6463   -0.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164   -0.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363   -1.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    0.6097    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0928   -0.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5663    0.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816    0.6097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.0576    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2338    0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8213   -0.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289    1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3038    1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <DATABASE_ID>
CHEM016013

> <DATABASE_NAME>
chemdb

> <SMILES>
[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCOC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+

> <INCHI_KEY>
PLHJDBGFXBMTGZ-WEVVVXLNSA-N

> <FORMULA>
C8H7N3O5

> <MOLECULAR_WEIGHT>
225.16

> <EXACT_MASS>
225.038570337

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
19.776286860333208

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1,3-oxazolidin-2-one

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
0.8699244056666666

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4069770989179835

> <JCHEM_POLAR_SURFACE_AREA>
98.17999999999999

> <JCHEM_REFRACTIVITY>
50.08099999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.64e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
furazolidone

> <JCHEM_VEBER_RULE>
0

> <NAME>
Furazolidone

> <CAS>
67-45-8

$$$$