| MolName | 3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide |
| MolecularFormula | C19H20N4O6S |
| Smiles | C=C(c1cc([N+]([O-])=O)ccc1)NNC(c1cccc(S(N2CCOCC2)(=O)=O)c1)=O |
| InChI | InChI=1S/C19H20N4O6S/c1-14(15-4-2-6-17(12-15)23(25)26)20-21-19(24)16-5-3-7-18(13-16)30(27,28)22-8-10-29-11-9-22/h2-7,12-13,20H,1,8-11H2,(H,21,24) |
| InChIK | MPKDSKMDPSKELC-UHFFFAOYSA-N |
| TotalMolweight | 432.456 |
| Molweight | 432.456 |
| MonoisotopicMass | 432.110356 |
| CLogP | 0.2515 |
| CLogS | -3.301 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 310.53 |
| Relative PSA | 0.34943 |
| PolarSurfaceArea | 141.94 |
| Druglikeness | -9.458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide | 2 - 3-morpholin-4-ylsulfonyl-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide