4-(phenoxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C20H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(phenoxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(phenoxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C20H17N3O2 |
| Smiles | O=C(c1ccc(COc2ccccc2)cc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H17N3O2/c24-20(23-22-14-17-5-4-12-21-13-17)18-10-8-16(9-11-18)15-25-19-6-2-1-3-7-19/h1-14H,15H2,(H,23,24) |
| InChIK | UWXGHWBAJLVEQS-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 3.5488 |
| CLogS | -4.267 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.27 |
| Relative PSA | 0.21161 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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