2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C15H11N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C15H11N3O4Br |
| Smiles | [O-]C(COc1c(/C=N\NC(c2cc(Br)cnc2)=O)cccc1)=O |
| InChI | InChI=1S/C15H12BrN3O4/c16-12-5-11(6-17-8-12)15(22)19-18-7-10-3-1-2-4-13(10)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21)/p-1 |
| InChIK | ZPLXMHDZUWHYBL-UHFFFAOYSA-M |
| TotalMolweight | 377.173 |
| Molweight | 377.173 |
| MonoisotopicMass | 375.993293 |
| CLogP | -0.0901 |
| CLogS | -3.553 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 253.42 |
| Relative PSA | 0.33265 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | 2.4564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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