2-[2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C15H11N4O4Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-[2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C15H11N4O4Cl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cccc1)c1OCC(O)=O)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C15H11Cl3N4O4/c16-10-12(19)11(17)14(18)21-13(10)15(25)22-20-5-7-3-1-2-4-8(7)26-6-9(23)24/h1-5H,6H2,(H2,19,21)(H,22,25)(H,23,24) |
| InChIK | KUTVYTLDGXOPOE-UHFFFAOYSA-N |
| TotalMolweight | 417.635 |
| Molweight | 417.635 |
| MonoisotopicMass | 415.984587 |
| CLogP | 2.3824 |
| CLogS | -4.79 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 288.39 |
| Relative PSA | 0.34117 |
| PolarSurfaceArea | 126.9 |
| Druglikeness | 4.2297 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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