(Z)-4-chloro-1,1,1-trifluoro-4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]but-3-en-2-one
Formula:C16H17N2O2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-chloro-1,1,1-trifluoro-4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]but-3-en-2-one is a drug-like molecule.
| MolName | (Z)-4-chloro-1,1,1-trifluoro-4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]but-3-en-2-one |
| MolecularFormula | C16H17N2O2ClF4 |
| Smiles | O=C(C(F)(F)F)/C=C(/NCC(c(cc1)ccc1F)N1CCOCC1)\Cl |
| InChI | InChI=1S/C16H17ClF4N2O2/c17-15(9-14(24)16(19,20)21)22-10-13(23-5-7-25-8-6-23)11-1-3-12(18)4-2-11/h1-4,9,13,22H,5-8,10H2/t13-/m0/s1 |
| InChIK | BDCWJQRRSDYLCV-ZDUSSCGKSA-N |
| TotalMolweight | 380.768 |
| Molweight | 380.768 |
| MonoisotopicMass | 380.091467 |
| CLogP | 2.2195 |
| CLogS | -3.28 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.51 |
| Relative PSA | 0.14277 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -30.061 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; 3-halo-enone |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (Z)-4-chloro-1,1,1-trifluoro-4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]but-3-en-2-one | 2 - (Z)-4-chloro-1,1,1-trifluoro-4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]but-3-en-2-one
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