(3Z)-N-(4-bromophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
Formula:C16H14N3O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-N-(4-bromophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide is a drug-like molecule.
| MolName | (3Z)-N-(4-bromophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide |
| MolecularFormula | C16H14N3O4Br |
| Smiles | [O-][N+](c1ccc(CO/N=C\CC(Nc(cc2)ccc2Br)=O)cc1)=O |
| InChI | InChI=1S/C16H14BrN3O4/c17-13-3-5-14(6-4-13)19-16(21)9-10-18-24-11-12-1-7-15(8-2-12)20(22)23/h1-8,10H,9,11H2,(H,19,21) |
| InChIK | KWEBIGGBKUVPKA-UHFFFAOYSA-N |
| TotalMolweight | 392.208 |
| Molweight | 392.208 |
| MonoisotopicMass | 391.016768 |
| CLogP | 2.7251 |
| CLogS | -4.932 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.81 |
| Relative PSA | 0.28646 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -4.7628 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.75 |
| 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 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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