N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-3-phenylpropanamide
Formula:C18H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C18H17N3O2 |
| Smiles | N#CCOc1c(/C=N\NC(CCc2ccccc2)=O)cccc1 |
| InChI | InChI=1S/C18H17N3O2/c19-12-13-23-17-9-5-4-8-16(17)14-20-21-18(22)11-10-15-6-2-1-3-7-15/h1-9,14H,10-11,13H2,(H,21,22) |
| InChIK | CUJQVALFYTZSET-UHFFFAOYSA-N |
| TotalMolweight | 307.352 |
| Molweight | 307.352 |
| MonoisotopicMass | 307.132077 |
| CLogP | 3.236 |
| CLogS | -4.422 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.98 |
| Relative PSA | 0.22913 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.4104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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