4-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H9N4Cl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H9N4Cl3 |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc(c1ccccc11)nnc1Cl |
| InChI | InChI=1S/C15H9Cl3N4/c16-12-6-3-7-13(17)11(12)8-19-21-15-10-5-2-1-4-9(10)14(18)20-22-15/h1-8H,(H,21,22) |
| InChIK | JHXNDVGEXFFZNB-UHFFFAOYSA-N |
| TotalMolweight | 351.623 |
| Molweight | 351.623 |
| MonoisotopicMass | 349.989277 |
| CLogP | 6.4723 |
| CLogS | -6.005 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.62 |
| Relative PSA | 0.18137 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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