[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzoate
Formula:C16H11NO2ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzoate |
| MolecularFormula | C16H11NO2ClFS |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C1\c(cc(cc2)F)c2SCC1 |
| InChI | InChI=1S/C16H11ClFNO2S/c17-11-3-1-10(2-4-11)16(20)21-19-14-7-8-22-15-6-5-12(18)9-13(14)15/h1-6,9H,7-8H2 |
| InChIK | HMKQFXMPXUZDGD-UHFFFAOYSA-N |
| TotalMolweight | 335.785 |
| Molweight | 335.785 |
| MonoisotopicMass | 335.018304 |
| CLogP | 4.3303 |
| CLogS | -6.077 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.02 |
| Relative PSA | 0.21956 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -3.2575 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzoate | 2 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzoate
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