614
  Mrv0541 02231214492D          

 16 17  0  0  0  0            999 V2000
    7.6453   -0.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154   -0.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -1.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.6098    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653    0.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7806    0.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2632    0.0577    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2328    0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9003    0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203   -0.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675    0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279    1.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    1.0973    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  3  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>
DB00614

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-][N+](=O)C1=CC=C(O1)C=NN1CCOC1=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>
InChIKey=PLHJDBGFXBMTGZ-WEVVVXLNSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
19.7446106059935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
225.038570349

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C8H7N3O5

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
0.8699244056666666

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MASS>
225.1583

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.413587912476163

> <JCHEM_POLAR_SURFACE_AREA>
100.85999999999999

> <JCHEM_REFRACTIVITY>
51.085199999999986

> <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

> <DRUGBANK_ID>
DB00614

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Furazolidone

> <SYNONYMS>
5-Nitro-N-(2-oxo-3-oxazolidinyl)-2-furanmethanimine; FZL; Nitrofurazolidone; Nitrofurazolidonum

> <BRANDS>
Dependal-M; Furoxone

$$$$