(Z)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one
Formula:C16H14NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one |
| MolecularFormula | C16H14NOF |
| Smiles | O=C(/C=C\NCc(cc1)ccc1F)c1ccccc1 |
| InChI | InChI=1S/C16H14FNO/c17-15-8-6-13(7-9-15)12-18-11-10-16(19)14-4-2-1-3-5-14/h1-11,18H,12H2 |
| InChIK | OOAURUOEDHPQSS-UHFFFAOYSA-N |
| TotalMolweight | 255.291 |
| Molweight | 255.291 |
| MonoisotopicMass | 255.105942 |
| CLogP | 2.2847 |
| CLogS | -3.916 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 208.84 |
| Relative PSA | 0.11731 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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