N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1H-imidazol-2-yl)phthalazin-1-amine
Formula:C18H13N6Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1H-imidazol-2-yl)phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(1H-imidazol-2-yl)phthalazin-1-amine |
| MolecularFormula | C18H13N6Cl |
| Smiles | Clc1ccc(/C=N\Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1 |
| InChI | InChI=1S/C18H13ClN6/c19-13-7-5-12(6-8-13)11-22-24-17-15-4-2-1-3-14(15)16(23-25-17)18-20-9-10-21-18/h1-11H,(H,20,21)(H,24,25) |
| InChIK | WZDLJIGYZPNFCY-UHFFFAOYSA-N |
| TotalMolweight | 348.796 |
| Molweight | 348.796 |
| MonoisotopicMass | 348.089021 |
| CLogP | 5.0571 |
| CLogS | -5.422 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.87 |
| Relative PSA | 0.26379 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | 2.79 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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