N-[(Z)-(4-bromophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H11N4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-bromophenyl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H11N4Br |
| Smiles | Brc1ccc(/C=N\Nc2nncc3ccccc23)cc1 |
| InChI | InChI=1S/C15H11BrN4/c16-13-7-5-11(6-8-13)9-17-19-15-14-4-2-1-3-12(14)10-18-20-15/h1-10H,(H,19,20) |
| InChIK | GFLCWZHJTUTBFS-UHFFFAOYSA-N |
| TotalMolweight | 327.184 |
| Molweight | 327.184 |
| MonoisotopicMass | 326.016707 |
| CLogP | 5.2821 |
| CLogS | -4.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.99 |
| Relative PSA | 0.20415 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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