2-bromo-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N4O4Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c(cccc2)c2Br)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H13BrN4O4/c17-14-4-2-1-3-13(14)16(23)18-10-15(22)20-19-9-11-5-7-12(8-6-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22) |
| InChIK | MHZYNASCBKBZPL-UHFFFAOYSA-N |
| TotalMolweight | 405.207 |
| Molweight | 405.207 |
| MonoisotopicMass | 404.012017 |
| CLogP | 2.0889 |
| CLogS | -4.782 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 272.26 |
| Relative PSA | 0.33398 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.5787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-bromo-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-bromo-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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