3,5,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
Formula:C14H9N4O2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C14H9N4O2Cl3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc(nc(c(Cl)c2)Cl)c2Cl)cccc1)=O |
| InChI | InChI=1S/C14H9Cl3N4O2/c15-10-8-11(16)14(19-13(10)17)20-18-7-3-5-9-4-1-2-6-12(9)21(22)23/h1-8H,(H,19,20) |
| InChIK | CLEAMESAWMLANJ-UHFFFAOYSA-N |
| TotalMolweight | 371.61 |
| Molweight | 371.61 |
| MonoisotopicMass | 369.979107 |
| CLogP | 5.0331 |
| CLogS | -5.602 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.43 |
| Relative PSA | 0.24339 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.0391 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,5,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
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