2-(4-cyanophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide
Formula:C18H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide |
| MolecularFormula | C18H17N3O2 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\CCc1ccccc1)=O |
| InChI | InChI=1S/C18H17N3O2/c19-13-16-8-10-17(11-9-16)23-14-18(22)21-20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-12H,4,7,14H2,(H,21,22) |
| InChIK | BLVDUMLYOWBDKY-UHFFFAOYSA-N |
| TotalMolweight | 307.352 |
| Molweight | 307.352 |
| MonoisotopicMass | 307.132077 |
| CLogP | 2.7537 |
| CLogS | -4.431 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.98 |
| Relative PSA | 0.22913 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.2369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.78261 |
| 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 | 4 |
| StereoCon |
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