(E)-1-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one
Formula:C24H22NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one |
| MolecularFormula | C24H22NO3F |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Oc1ccccc1)c(cc1)ccc1OCCCF |
| InChI | InChI=1S/C24H22FNO3/c25-16-4-18-28-21-11-7-19(8-12-21)24(27)15-17-26-20-9-13-23(14-10-20)29-22-5-2-1-3-6-22/h1-3,5-15,17,26H,4,16,18H2 |
| InChIK | RHRCIRNPBFZFCK-UHFFFAOYSA-N |
| TotalMolweight | 391.441 |
| Molweight | 391.441 |
| MonoisotopicMass | 391.158372 |
| CLogP | 4.4352 |
| CLogS | -6.746 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.12 |
| Relative PSA | 0.14077 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -1.3033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75862 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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