2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C15H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C15H12N3O4Br |
| Smiles | OC(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) |
| InChIK | ZPLXMHDZUWHYBL-UHFFFAOYSA-N |
| TotalMolweight | 378.181 |
| Molweight | 378.181 |
| MonoisotopicMass | 377.001118 |
| CLogP | 1.9859 |
| CLogS | -3.553 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 252.24 |
| Relative PSA | 0.32953 |
| PolarSurfaceArea | 100.88 |
| Druglikeness | 2.407 |
| 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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1 - 2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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