4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]phthalazin-1-amine
Formula:C19H13N4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C19H13N4Cl |
| Smiles | Clc(c1ccccc11)nnc1N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13ClN4/c20-18-16-10-3-4-11-17(16)19(24-22-18)23-21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,24) |
| InChIK | KWAXYWXSEDCTCM-UHFFFAOYSA-N |
| TotalMolweight | 332.793 |
| Molweight | 332.793 |
| MonoisotopicMass | 332.082873 |
| CLogP | 6.4547 |
| CLogS | -6.139 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.38 |
| Relative PSA | 0.17865 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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