N-[(Z)-(3-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
Formula:C15H10N4BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine |
| MolecularFormula | C15H10N4BrCl |
| Smiles | Clc(c1ccccc11)nnc1N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H10BrClN4/c16-11-5-3-4-10(8-11)9-18-20-15-13-7-2-1-6-12(13)14(17)19-21-15/h1-9H,(H,20,21) |
| InChIK | IRZCFUZCERJIST-UHFFFAOYSA-N |
| TotalMolweight | 361.629 |
| Molweight | 361.629 |
| MonoisotopicMass | 359.977734 |
| CLogP | 5.9855 |
| CLogS | -5.367 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.41 |
| Relative PSA | 0.19077 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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