N-(3-fluorophenyl)-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
Formula:C26H20N3O3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(3-fluorophenyl)-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-fluorophenyl)-N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide |
| MolecularFormula | C26H20N3O3F |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1)=O)Nc1cccc(F)c1 |
| InChI | InChI=1S/C26H20FN3O3/c27-20-10-6-11-21(15-20)29-25(31)26(32)30-28-16-23-22-12-5-4-9-19(22)13-14-24(23)33-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,31)(H,30,32) |
| InChIK | DVSAVSNBAOETGE-UHFFFAOYSA-N |
| TotalMolweight | 441.461 |
| Molweight | 441.461 |
| MonoisotopicMass | 441.14887 |
| CLogP | 4.7872 |
| CLogS | -6.786 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 340.67 |
| Relative PSA | 0.20697 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.0436 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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