N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
Formula:C26H19N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C26H19N2O2F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C26H19FN2O2/c27-21-15-13-18(14-16-21)17-24(29-25(30)20-8-2-1-3-9-20)26(31)28-23-12-6-10-19-7-4-5-11-22(19)23/h1-17H,(H,28,31)(H,29,30) |
| InChIK | BQYRZTQVIUZRBP-UHFFFAOYSA-N |
| TotalMolweight | 410.447 |
| Molweight | 410.447 |
| MonoisotopicMass | 410.143056 |
| CLogP | 5.719 |
| CLogS | -6.793 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 316.86 |
| Relative PSA | 0.15464 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.6527 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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