3-(3-bromophenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
Formula:C16H14N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-bromophenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(3-bromophenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C16H14N3O4Br |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CCOc2cccc(Br)c2)=O)c1)=O |
| InChI | InChI=1S/C16H14BrN3O4/c17-13-4-2-6-15(10-13)24-8-7-16(21)19-18-11-12-3-1-5-14(9-12)20(22)23/h1-6,9-11H,7-8H2,(H,19,21) |
| InChIK | CWAHVDJJTOSDIX-UHFFFAOYSA-N |
| TotalMolweight | 392.208 |
| Molweight | 392.208 |
| MonoisotopicMass | 391.016768 |
| CLogP | 3.0345 |
| CLogS | -5.065 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.81 |
| Relative PSA | 0.28646 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -3.0972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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