N-[(Z)-(2-chlorophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H11N4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chlorophenyl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H11N4Cl |
| Smiles | Clc1c(/C=N\Nc2nncc3ccccc23)cccc1 |
| InChI | InChI=1S/C15H11ClN4/c16-14-8-4-2-6-12(14)10-18-20-15-13-7-3-1-5-11(13)9-17-19-15/h1-10H,(H,19,20) |
| InChIK | FADNHRXAIZNECB-UHFFFAOYSA-N |
| TotalMolweight | 282.733 |
| Molweight | 282.733 |
| MonoisotopicMass | 282.067223 |
| CLogP | 5.1629 |
| CLogS | -4.77 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.78 |
| Relative PSA | 0.20717 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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