4-amino-N-[(Z)-benzylideneamino]-3,5,6-trichloropyridine-2-carboxamide
Formula:C13H9N4OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-N-[(Z)-benzylideneamino]-3,5,6-trichloropyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-benzylideneamino]-3,5,6-trichloropyridine-2-carboxamide |
| MolecularFormula | C13H9N4OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1ccccc1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H9Cl3N4O/c14-8-10(17)9(15)12(16)19-11(8)13(21)20-18-6-7-4-2-1-3-5-7/h1-6H,(H2,17,19)(H,20,21) |
| InChIK | FHDVBPGFJBTTGM-UHFFFAOYSA-N |
| TotalMolweight | 343.6 |
| Molweight | 343.6 |
| MonoisotopicMass | 341.984192 |
| CLogP | 3.4928 |
| CLogS | -4.997 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.53 |
| Relative PSA | 0.2588 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 4.4006 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-benzylideneamino]-3,5,6-trichloropyridine-2-carboxamide | 2 - 4-amino-N-[(Z)-benzylideneamino]-3,5,6-trichloropyridine-2-carboxamide
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