(3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one
Formula:C21H12OClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one is not a drug-like molecule.
| MolName | (3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one |
| MolecularFormula | C21H12OClF3S2 |
| Smiles | O=C1c(cc(cc2)Cl)c2SC/C1=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1 |
| InChI | InChI=1S/C21H12ClF3OS2/c22-14-6-7-18-17(9-14)19(26)13(11-27-18)8-15-10-16(12-4-2-1-3-5-12)20(28-15)21(23,24)25/h1-10H,11H2 |
| InChIK | DQIAQQOZLPCXNR-UHFFFAOYSA-N |
| TotalMolweight | 436.904 |
| Molweight | 436.904 |
| MonoisotopicMass | 435.997016 |
| CLogP | 6.1078 |
| CLogS | -8.31 |
| H Acceptors | 1 |
| TotalSurfaceArea | 293.81 |
| Relative PSA | 0.17321 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | -5.2613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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