(E)-N-[(2,6-dichlorophenyl)methoxy]-1H-isothiochromen-4-imine
Formula:C16H13NOCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(2,6-dichlorophenyl)methoxy]-1H-isothiochromen-4-imine is not a drug-like molecule.
| MolName | (E)-N-[(2,6-dichlorophenyl)methoxy]-1H-isothiochromen-4-imine |
| MolecularFormula | C16H13NOCl2S |
| Smiles | Clc1cccc(Cl)c1CO/N=C(/CSC1)\c2c1cccc2 |
| InChI | InChI=1S/C16H13Cl2NOS/c17-14-6-3-7-15(18)13(14)8-20-19-16-10-21-9-11-4-1-2-5-12(11)16/h1-7H,8-10H2 |
| InChIK | AUQNIOFDESRTDT-UHFFFAOYSA-N |
| TotalMolweight | 338.257 |
| Molweight | 338.257 |
| MonoisotopicMass | 337.009488 |
| CLogP | 5.3451 |
| CLogS | -6.344 |
| H Acceptors | 2 |
| TotalSurfaceArea | 242.1 |
| Relative PSA | 0.16109 |
| PolarSurfaceArea | 46.89 |
| Druglikeness | 1.3286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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