| MolName | 2-(2-nitrophenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(Cc(cccc2)c2[N+]([O-])=O)=O)o1)=O |
| InChI | InChI=1S/C19H14N4O6/c24-19(11-14-3-1-2-4-17(14)23(27)28)21-20-12-16-9-10-18(29-16)13-5-7-15(8-6-13)22(25)26/h1-10,12H,11H2,(H,21,24) |
| InChIK | BJYARWSWDQDCCF-UHFFFAOYSA-N |
| TotalMolweight | 394.342 |
| Molweight | 394.342 |
| MonoisotopicMass | 394.091336 |
| CLogP | 2.2954 |
| CLogS | -6.066 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 297.54 |
| Relative PSA | 0.37292 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | 1.3926 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(2-nitrophenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(2-nitrophenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide