2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]benzoic acid
Formula:C14H9N4O3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H9N4O3Cl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cccc1)c1C(O)=O)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C14H9Cl3N4O3/c15-8-10(18)9(16)12(17)20-11(8)13(22)21-19-5-6-3-1-2-4-7(6)14(23)24/h1-5H,(H2,18,20)(H,21,22)(H,23,24) |
| InChIK | PEUCGLLQGKULMG-UHFFFAOYSA-N |
| TotalMolweight | 387.609 |
| Molweight | 387.609 |
| MonoisotopicMass | 385.974022 |
| CLogP | 2.8075 |
| CLogS | -5.01 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 264.63 |
| Relative PSA | 0.33401 |
| PolarSurfaceArea | 117.67 |
| Druglikeness | 4.1489 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]benzoic acid
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