(Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine
Formula:C18H13NO2ClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine |
| MolecularFormula | C18H13NO2ClF3S |
| Smiles | FC(c1cccc(OCCO/N=C\c(sc2c3cccc2)c3Cl)c1)(F)F |
| InChI | InChI=1S/C18H13ClF3NO2S/c19-17-14-6-1-2-7-15(14)26-16(17)11-23-25-9-8-24-13-5-3-4-12(10-13)18(20,21)22/h1-7,10-11H,8-9H2 |
| InChIK | PXVAQTAGFNZCEB-UHFFFAOYSA-N |
| TotalMolweight | 399.819 |
| Molweight | 399.819 |
| MonoisotopicMass | 399.03076 |
| CLogP | 6.2181 |
| CLogS | -6.432 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.72 |
| Relative PSA | 0.18477 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | -10.145 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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