4-anilino-N-[(Z)-benzylideneamino]butanamide
Formula:C17H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-anilino-N-[(Z)-benzylideneamino]butanamide is a drug-like molecule.
| MolName | 4-anilino-N-[(Z)-benzylideneamino]butanamide |
| MolecularFormula | C17H19N3O |
| Smiles | O=C(CCCNc1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H19N3O/c21-17(20-19-14-15-8-3-1-4-9-15)12-7-13-18-16-10-5-2-6-11-16/h1-6,8-11,14,18H,7,12-13H2,(H,20,21) |
| InChIK | MOAMBCFPEWGFGK-UHFFFAOYSA-N |
| TotalMolweight | 281.358 |
| Molweight | 281.358 |
| MonoisotopicMass | 281.152812 |
| CLogP | 3.4023 |
| CLogS | -4.083 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 239.73 |
| Relative PSA | 0.19801 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 4.098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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