(2S)-2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C15H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2S)-2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | (2S)-2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N3O4Br |
| Smiles | [O-][N+](c1c(/C=N\NC([C@H](c(cc2)ccc2Br)O)=O)cccc1)=O |
| InChI | InChI=1S/C15H12BrN3O4/c16-12-7-5-10(6-8-12)14(20)15(21)18-17-9-11-3-1-2-4-13(11)19(22)23/h1-9,14,20H,(H,18,21)/t14-/m0/s1 |
| InChIK | NFWJXURSAXRRIG-AWEZNQCLSA-N |
| TotalMolweight | 378.181 |
| Molweight | 378.181 |
| MonoisotopicMass | 377.001118 |
| CLogP | 1.9332 |
| CLogS | -4.432 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 248.14 |
| Relative PSA | 0.3205 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -1.7572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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