4-[(2-phenylphenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
Formula:C26H21N3O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
4-[(2-phenylphenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(2-phenylphenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide |
| MolecularFormula | C26H21N3O2 |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C26H21N3O2/c30-26(29-28-18-23-10-6-7-17-27-23)22-15-13-20(14-16-22)19-31-25-12-5-4-11-24(25)21-8-2-1-3-9-21/h1-18H,19H2,(H,29,30) |
| InChIK | TXZWUYOMTOZQKB-UHFFFAOYSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 5.262 |
| CLogS | -6.377 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.03 |
| Relative PSA | 0.17318 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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