[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 2-chloroacetate
Formula:C11H9NO2ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 2-chloroacetate |
| MolecularFormula | C11H9NO2ClFS |
| Smiles | O=C(CCl)O/N=C1\c(cc(cc2)F)c2SCC1 |
| InChI | InChI=1S/C11H9ClFNO2S/c12-6-11(15)16-14-9-3-4-17-10-2-1-7(13)5-8(9)10/h1-2,5H,3-4,6H2 |
| InChIK | OJLLIPDICAQXGQ-UHFFFAOYSA-N |
| TotalMolweight | 273.714 |
| Molweight | 273.714 |
| MonoisotopicMass | 273.002654 |
| CLogP | 2.5098 |
| CLogS | -4.572 |
| H Acceptors | 3 |
| TotalSurfaceArea | 191.02 |
| Relative PSA | 0.27243 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -4.6049 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 2-chloroacetate | 2 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 2-chloroacetate
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