(E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Formula:C18H17NO2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C18H17NO2ClF |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1OCCCF |
| InChI | InChI=1S/C18H17ClFNO2/c19-15-4-6-16(7-5-15)21-12-10-18(22)14-2-8-17(9-3-14)23-13-1-11-20/h2-10,12,21H,1,11,13H2 |
| InChIK | AUBMFVYEKTYSKM-UHFFFAOYSA-N |
| TotalMolweight | 333.789 |
| Molweight | 333.789 |
| MonoisotopicMass | 333.093184 |
| CLogP | 3.6456 |
| CLogS | -5.185 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.78 |
| Relative PSA | 0.13179 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.1986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78261 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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