N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]phthalazin-1-amine
Formula:C16H12N4OF2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]phthalazin-1-amine |
| MolecularFormula | C16H12N4OF2 |
| Smiles | FC(Oc1ccc(/C=N\Nc2nncc3ccccc23)cc1)F |
| InChI | InChI=1S/C16H12F2N4O/c17-16(18)23-13-7-5-11(6-8-13)9-19-21-15-14-4-2-1-3-12(14)10-20-22-15/h1-10,16H,(H,21,22) |
| InChIK | BFSBNVUQCUOLND-UHFFFAOYSA-N |
| TotalMolweight | 314.294 |
| Molweight | 314.294 |
| MonoisotopicMass | 314.097917 |
| CLogP | 4.7263 |
| CLogS | -4.656 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.56 |
| Relative PSA | 0.23212 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | -0.6935 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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