(E)-N-[(4-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide
Formula:C19H19NO2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide |
| MolecularFormula | C19H19NO2ClF |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C19H19ClFNO2/c20-17-7-2-16(3-8-17)14-22-19(23)11-6-15-4-9-18(10-5-15)24-13-1-12-21/h2-11H,1,12-14H2,(H,22,23) |
| InChIK | ITVAFUIMSAPCBG-UHFFFAOYSA-N |
| TotalMolweight | 347.816 |
| Molweight | 347.816 |
| MonoisotopicMass | 347.108834 |
| CLogP | 4.0168 |
| CLogS | -4.713 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.54 |
| Relative PSA | 0.12521 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.5653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.79167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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