(5Z)-5-(anthracen-9-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H14NOFS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H14NOFS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2c(cccc3)c3cc3ccccc23)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C24H14FNOS2/c25-17-8-5-9-18(13-17)26-23(27)22(29-24(26)28)14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H |
| InChIK | HTDPQTYNWZWZRR-UHFFFAOYSA-N |
| TotalMolweight | 415.511 |
| Molweight | 415.511 |
| MonoisotopicMass | 415.050082 |
| CLogP | 5.3819 |
| CLogS | -8.509 |
| H Acceptors | 2 |
| TotalSurfaceArea | 298.03 |
| Relative PSA | 0.2083 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 1.427 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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