Mrv1572004201615522D          

 24 26  0  0  0  0            999 V2000
   -1.7613    5.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063    6.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1973    2.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7996    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3688    1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9711    0.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712    4.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2411    3.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2016    4.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863    5.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4565    3.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    6.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1216    3.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917    4.8394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4127    2.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3766    4.1720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    7.5151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3370    3.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593    7.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    7.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7557    0.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    6.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7891    2.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356    3.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 10  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 14  7  2  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 17  2  0  0  0  0
 21  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016119

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(=N/N1CC(CN2CCOCC2)OC1=O)C1=CC=C(O1)N(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+

> <INCHI_KEY>
YVQVOQKFMFRVGR-VGOFMYFVSA-N

> <FORMULA>
C13H16N4O6

> <MOLECULAR_WEIGHT>
324.293

> <EXACT_MASS>
324.106984251

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.479373141918714

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(morpholin-4-yl)methyl]-3-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1,3-oxazolidin-2-one

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
0.7298355463333326

> <ALOGPS_LOGS>
-2.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.0411097934029

> <JCHEM_POLAR_SURFACE_AREA>
113.33

> <JCHEM_REFRACTIVITY>
77.84899999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.53e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
furaltadone

> <JCHEM_VEBER_RULE>
0

> <NAME>
5-(Morpholinomethyl)-3-[(5-nitrofurfurylidene)­amino]-2-oxazolidinone

> <CAS>
3795-88-8

$$$$