(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
Formula:C16H14N4O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide |
| MolecularFormula | C16H14N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(/C=C/c2ccco2)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H14N4O5/c21-15(8-7-14-2-1-9-25-14)17-11-16(22)19-18-10-12-3-5-13(6-4-12)20(23)24/h1-10H,11H2,(H,17,21)(H,19,22) |
| InChIK | GBSXMMBDXQPZFT-UHFFFAOYSA-N |
| TotalMolweight | 342.31 |
| Molweight | 342.31 |
| MonoisotopicMass | 342.096421 |
| CLogP | 0.8816 |
| CLogS | -4 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 269.82 |
| Relative PSA | 0.3893 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | -1.0975 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
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