3,5,6-trichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine
Formula:C18H12N3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C18H12N3Cl3 |
| Smiles | Clc(cc1Cl)c(N/N=C\c(cc2)ccc2-c2ccccc2)nc1Cl |
| InChI | InChI=1S/C18H12Cl3N3/c19-15-10-16(20)18(23-17(15)21)24-22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11H,(H,23,24) |
| InChIK | GQFLZFDYOJURQP-UHFFFAOYSA-N |
| TotalMolweight | 376.673 |
| Molweight | 376.673 |
| MonoisotopicMass | 375.009678 |
| CLogP | 7.766 |
| CLogS | -6.936 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.02 |
| Relative PSA | 0.12386 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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