4-bromo-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C15H13N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C15H13N4O2Br |
| Smiles | O=C(CNC(c(cc1)ccc1Br)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H13BrN4O2/c16-13-5-3-12(4-6-13)15(22)18-10-14(21)20-19-9-11-2-1-7-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21) |
| InChIK | MRXDNWYYVAQTQX-UHFFFAOYSA-N |
| TotalMolweight | 361.198 |
| Molweight | 361.198 |
| MonoisotopicMass | 360.022187 |
| CLogP | 2.0096 |
| CLogS | -3.527 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.35 |
| Relative PSA | 0.28898 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.5387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-bromo-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 4-bromo-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
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