(4E)-4-[(5-bromopyridine-3-carbonyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C16H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(5-bromopyridine-3-carbonyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4E)-4-[(5-bromopyridine-3-carbonyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C16H14N3O3Br |
| Smiles | OC(CC/C(/c1ccccc1)=N\NC(c1cc(Br)cnc1)=O)=O |
| InChI | InChI=1S/C16H14BrN3O3/c17-13-8-12(9-18-10-13)16(23)20-19-14(6-7-15(21)22)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,23)(H,21,22) |
| InChIK | WKYGGKPZMAAUEX-UHFFFAOYSA-N |
| TotalMolweight | 376.209 |
| Molweight | 376.209 |
| MonoisotopicMass | 375.021853 |
| CLogP | 2.4963 |
| CLogS | -4.135 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.21 |
| Relative PSA | 0.28764 |
| PolarSurfaceArea | 91.65 |
| Druglikeness | 0.22735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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