N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-fluorophenyl)butanediamide
Formula:C25H20N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-fluorophenyl)butanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-fluorophenyl)butanediamide |
| MolecularFormula | C25H20N3O2F |
| Smiles | O=C(CCC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C25H20FN3O2/c26-19-9-11-20(12-10-19)28-24(30)13-14-25(31)29-27-16-23-21-7-3-1-5-17(21)15-18-6-2-4-8-22(18)23/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31) |
| InChIK | FHCYPWJJBYCNCO-UHFFFAOYSA-N |
| TotalMolweight | 413.451 |
| Molweight | 413.451 |
| MonoisotopicMass | 413.153955 |
| CLogP | 5.5423 |
| CLogS | -7.591 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.27 |
| Relative PSA | 0.18953 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.245 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-fluorophenyl)butanediamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-fluorophenyl)butanediamide
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