(E)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
Formula:C18H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C18H16N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(/C=C/c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C18H16N4O4/c23-17(11-8-14-4-2-1-3-5-14)19-13-18(24)21-20-12-15-6-9-16(10-7-15)22(25)26/h1-12H,13H2,(H,19,23)(H,21,24) |
| InChIK | OKOGRDZOQMOXRE-UHFFFAOYSA-N |
| TotalMolweight | 352.349 |
| Molweight | 352.349 |
| MonoisotopicMass | 352.117156 |
| CLogP | 1.6929 |
| CLogS | -4.318 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.13 |
| Relative PSA | 0.3246 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.1179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
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