Mrv1652306231722472D          

 19 20  0  0  0  0            999 V2000
    0.2449   -0.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -1.1654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -1.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268   -2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -3.6725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468   -3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -4.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -2.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -4.3399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0061   -5.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -5.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -6.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186   -7.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -6.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186   -7.8556    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1331   -8.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041   -8.2681    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
> <DATABASE_ID>
DB13724

> <DATABASE_NAME>
drugbank

> <SMILES>
CSCC1CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+

> <INCHI_KEY>
SRQKTCXJCCHINN-NYYWCZLTSA-N

> <FORMULA>
C10H11N3O5S

> <MOLECULAR_WEIGHT>
285.27

> <EXACT_MASS>
285.04194164

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
27.284265404565083

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.95

> <JCHEM_LOGP>
1.7220606096666669

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.105191168246053

> <JCHEM_POLAR_SURFACE_AREA>
98.18

> <JCHEM_REFRACTIVITY>
66.8771

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
omnes

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13724

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Nifuratel

> <SYNONYMS>
Nifuratel

$$$$