N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
Formula:C17H13N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide |
| MolecularFormula | C17H13N4O2F |
| Smiles | O=C(CC(c1c2cccc1)=NNC2=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C17H13FN4O2/c18-14-8-4-1-5-11(14)10-19-21-16(23)9-15-12-6-2-3-7-13(12)17(24)22-20-15/h1-8,10H,9H2,(H,21,23)(H,22,24) |
| InChIK | NEDFFDBRNDJOMA-UHFFFAOYSA-N |
| TotalMolweight | 324.314 |
| Molweight | 324.314 |
| MonoisotopicMass | 324.102254 |
| CLogP | 2.8015 |
| CLogS | -5.146 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.78 |
| Relative PSA | 0.29303 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.3939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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