4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H10N4ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H10N4ClF |
| Smiles | Fc1ccc(/C=N\Nc(c2ccccc22)nnc2Cl)cc1 |
| InChI | InChI=1S/C15H10ClFN4/c16-14-12-3-1-2-4-13(12)15(21-19-14)20-18-9-10-5-7-11(17)8-6-10/h1-9H,(H,20,21) |
| InChIK | KEABDXJILILOCR-UHFFFAOYSA-N |
| TotalMolweight | 300.723 |
| Molweight | 300.723 |
| MonoisotopicMass | 300.057801 |
| CLogP | 5.3611 |
| CLogS | -4.847 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.13 |
| Relative PSA | 0.20127 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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