(3Z)-6-chloro-3-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]thiochromen-4-one
Formula:C21H12O3ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-6-chloro-3-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]thiochromen-4-one is not a drug-like molecule.
| MolName | (3Z)-6-chloro-3-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]thiochromen-4-one |
| MolecularFormula | C21H12O3ClF3S |
| Smiles | O=C1c(cc(cc2)Cl)c2SC/C1=C\c1ccc(-c(cccc2)c2OC(F)(F)F)o1 |
| InChI | InChI=1S/C21H12ClF3O3S/c22-13-5-8-19-16(10-13)20(26)12(11-29-19)9-14-6-7-17(27-14)15-3-1-2-4-18(15)28-21(23,24)25/h1-10H,11H2 |
| InChIK | NSHJFOLWROMZSD-UHFFFAOYSA-N |
| TotalMolweight | 436.836 |
| Molweight | 436.836 |
| MonoisotopicMass | 436.014776 |
| CLogP | 5.6894 |
| CLogS | -7.809 |
| H Acceptors | 3 |
| TotalSurfaceArea | 297.56 |
| Relative PSA | 0.18363 |
| PolarSurfaceArea | 64.74 |
| Druglikeness | -5.7506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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