[1-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C26H18N3O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is a drug-like molecule.
| MolName | [1-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C26H18N3O4F |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C26H18FN3O4/c27-19-11-13-20(14-12-19)29-24(31)25(32)30-28-16-22-21-9-5-4-6-17(21)10-15-23(22)34-26(33)18-7-2-1-3-8-18/h1-16H,(H,29,31)(H,30,32) |
| InChIK | PLKTZCWEBOBKBH-UHFFFAOYSA-N |
| TotalMolweight | 455.444 |
| Molweight | 455.444 |
| MonoisotopicMass | 455.128135 |
| CLogP | 4.8696 |
| CLogS | -6.915 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 344.66 |
| Relative PSA | 0.24241 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 2.035 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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