2-prop-2-enyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-prop-2-enyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-prop-2-enyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C16H15N3O |
| Smiles | C=CCc(cccc1)c1C(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C16H15N3O/c1-2-6-14-8-3-4-9-15(14)16(20)19-18-12-13-7-5-10-17-11-13/h2-5,7-12H,1,6H2,(H,19,20) |
| InChIK | KUNIKDJTJHNXAG-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 3.2291 |
| CLogS | -3.638 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.05 |
| Relative PSA | 0.20969 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 1.6323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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