N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzamide
Formula:C16H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | N#CCOc1c(/C=N\NC(c2ccccc2)=O)cccc1 |
| InChI | InChI=1S/C16H13N3O2/c17-10-11-21-15-9-5-4-8-14(15)12-18-19-16(20)13-6-2-1-3-7-13/h1-9,12H,11H2,(H,19,20) |
| InChIK | FBTVAMUJSXHFMT-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 2.7835 |
| CLogS | -4.187 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.46 |
| Relative PSA | 0.25626 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -0.2595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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