4-anilino-N-[(Z)-(3-bromophenyl)methylideneamino]butanamide
Formula:C17H18N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-anilino-N-[(Z)-(3-bromophenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-anilino-N-[(Z)-(3-bromophenyl)methylideneamino]butanamide |
| MolecularFormula | C17H18N3OBr |
| Smiles | O=C(CCCNc1ccccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C17H18BrN3O/c18-15-7-4-6-14(12-15)13-20-21-17(22)10-5-11-19-16-8-2-1-3-9-16/h1-4,6-9,12-13,19H,5,10-11H2,(H,21,22) |
| InChIK | SPQTXYBWCPWQSD-UHFFFAOYSA-N |
| TotalMolweight | 360.254 |
| Molweight | 360.254 |
| MonoisotopicMass | 359.063323 |
| CLogP | 4.1275 |
| CLogS | -4.917 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.36 |
| Relative PSA | 0.18374 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 2.308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-anilino-N-[(Z)-(3-bromophenyl)methylideneamino]butanamide | 2 - 4-anilino-N-[(Z)-(3-bromophenyl)methylideneamino]butanamide
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