(E)-3-[(4-fluorophenyl)methylamino]-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C22H18NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[(4-fluorophenyl)methylamino]-1-(4-phenylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[(4-fluorophenyl)methylamino]-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C22H18NOF |
| Smiles | O=C(/C=C/NCc(cc1)ccc1F)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H18FNO/c23-21-12-6-17(7-13-21)16-24-15-14-22(25)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-15,24H,16H2 |
| InChIK | NIDKVAGDOLCQAR-UHFFFAOYSA-N |
| TotalMolweight | 331.389 |
| Molweight | 331.389 |
| MonoisotopicMass | 331.137242 |
| CLogP | 3.9439 |
| CLogS | -6.002 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 268.6 |
| Relative PSA | 0.091214 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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