N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-phenylpropanamide
Formula:C16H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H14N3O3Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(CCc1ccccc1)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C16H14BrN3O3/c17-14-8-6-13(10-15(14)20(22)23)11-18-19-16(21)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,19,21) |
| InChIK | HTBYGOWMUGDOKX-UHFFFAOYSA-N |
| TotalMolweight | 376.209 |
| Molweight | 376.209 |
| MonoisotopicMass | 375.021853 |
| CLogP | 3.4577 |
| CLogS | -5.25 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.81 |
| Relative PSA | 0.25867 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.7344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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