(E)-3-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]prop-2-enamide
Formula:C15H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]prop-2-enamide |
| MolecularFormula | C15H13N3O |
| Smiles | O=C(/C=C/c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H13N3O/c19-15(7-6-13-4-2-1-3-5-13)18-17-12-14-8-10-16-11-9-14/h1-12H,(H,18,19) |
| InChIK | MUBTWLFFAHUJTJ-UHFFFAOYSA-N |
| TotalMolweight | 251.288 |
| Molweight | 251.288 |
| MonoisotopicMass | 251.105862 |
| CLogP | 2.5299 |
| CLogS | -3.296 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.25 |
| Relative PSA | 0.22134 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]prop-2-enamide | 2 - (E)-3-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off