4-[(2Z)-5-chloro-2-[2-(2,4-dichlorophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholine
Formula:C20H18NO3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(2Z)-5-chloro-2-[2-(2,4-dichlorophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholine is not a drug-like molecule.
| MolName | 4-[(2Z)-5-chloro-2-[2-(2,4-dichlorophenoxy)ethylidene]-3H-1-benzofuran-3-yl]morpholine |
| MolecularFormula | C20H18NO3Cl3 |
| Smiles | Clc(cc1)cc(C2N3CCOCC3)c1O/C2=C\COc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C20H18Cl3NO3/c21-13-1-3-17-15(11-13)20(24-6-9-25-10-7-24)19(27-17)5-8-26-18-4-2-14(22)12-16(18)23/h1-5,11-12,20H,6-10H2/t20-/m1/s1 |
| InChIK | FHHSQACDRWHZBS-HXUWFJFHSA-N |
| TotalMolweight | 426.726 |
| Molweight | 426.726 |
| MonoisotopicMass | 425.035225 |
| CLogP | 5.0529 |
| CLogS | -5.04 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.59 |
| Relative PSA | 0.11236 |
| PolarSurfaceArea | 30.93 |
| Druglikeness | 1.8695 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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