(E)-4,4-difluoro-3-(naphthalen-1-ylamino)-1-phenylbut-2-en-1-one
Formula:C20H15NOF2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4,4-difluoro-3-(naphthalen-1-ylamino)-1-phenylbut-2-en-1-one is a drug-like molecule.
| MolName | (E)-4,4-difluoro-3-(naphthalen-1-ylamino)-1-phenylbut-2-en-1-one |
| MolecularFormula | C20H15NOF2 |
| Smiles | O=C(/C=C(\C(F)F)/Nc1cccc2ccccc12)c1ccccc1 |
| InChI | InChI=1S/C20H15F2NO/c21-20(22)18(13-19(24)15-8-2-1-3-9-15)23-17-12-6-10-14-7-4-5-11-16(14)17/h1-13,20,23H |
| InChIK | KJMKUZNZWIGHKD-UHFFFAOYSA-N |
| TotalMolweight | 323.341 |
| Molweight | 323.341 |
| MonoisotopicMass | 323.11217 |
| CLogP | 4.6453 |
| CLogS | -6.119 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.74 |
| Relative PSA | 0.099295 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.5371 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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