(E)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide
Formula:C17H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C17H16N4O2 |
| Smiles | O=C(CNC(/C=C/c1ccccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C17H16N4O2/c22-16(9-8-14-5-2-1-3-6-14)19-13-17(23)21-20-12-15-7-4-10-18-11-15/h1-12H,13H2,(H,19,22)(H,21,23) |
| InChIK | FRRRPZAYAGHFPX-UHFFFAOYSA-N |
| TotalMolweight | 308.34 |
| Molweight | 308.34 |
| MonoisotopicMass | 308.127326 |
| CLogP | 1.6136 |
| CLogS | -3.063 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 255.22 |
| Relative PSA | 0.28007 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.9433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide
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