(Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[(4-chlorophenyl)methoxy]methanimine
Formula:C16H11NOCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[(4-chlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(3-chloro-1-benzothiophen-2-yl)-N-[(4-chlorophenyl)methoxy]methanimine |
| MolecularFormula | C16H11NOCl2S |
| Smiles | Clc1c(/C=N\OCc(cc2)ccc2Cl)sc2c1cccc2 |
| InChI | InChI=1S/C16H11Cl2NOS/c17-12-7-5-11(6-8-12)10-20-19-9-15-16(18)13-3-1-2-4-14(13)21-15/h1-9H,10H2 |
| InChIK | MPTWHMKEZNVPON-UHFFFAOYSA-N |
| TotalMolweight | 336.241 |
| Molweight | 336.241 |
| MonoisotopicMass | 334.993838 |
| CLogP | 5.9689 |
| CLogS | -6.463 |
| H Acceptors | 2 |
| TotalSurfaceArea | 242.92 |
| Relative PSA | 0.17236 |
| PolarSurfaceArea | 49.83 |
| Druglikeness | 1.7276 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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