(E)-3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide
Formula:C12H8N4O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]prop-2-enamide |
| MolecularFormula | C12H8N4O7 |
| Smiles | [O-][N+](c1ccc(/C=C/C(N/N=C\c2ccc([N+]([O-])=O)o2)=O)o1)=O |
| InChI | InChI=1S/C12H8N4O7/c17-10(4-1-8-2-5-11(22-8)15(18)19)14-13-7-9-3-6-12(23-9)16(20)21/h1-7H,(H,14,17) |
| InChIK | IUTJYHSRMXYBAA-UHFFFAOYSA-N |
| TotalMolweight | 320.217 |
| Molweight | 320.217 |
| MonoisotopicMass | 320.039301 |
| CLogP | 0.7678 |
| CLogS | -5.425 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 240.21 |
| Relative PSA | 0.52067 |
| PolarSurfaceArea | 159.38 |
| Druglikeness | 1.7488 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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