(5Z)-5-(anthracen-9-ylmethylidene)-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H14NO2FS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H14NO2FS2 |
| Smiles | O=C(c(cccc1)c1F)N(C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)=O)C1=S |
| InChI | InChI=1S/C25H14FNO2S2/c26-21-12-6-5-11-19(21)23(28)27-24(29)22(31-25(27)30)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H |
| InChIK | OOTJFBPNNJQGAZ-UHFFFAOYSA-N |
| TotalMolweight | 443.521 |
| Molweight | 443.521 |
| MonoisotopicMass | 443.044997 |
| CLogP | 5.3872 |
| CLogS | -8.116 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.78 |
| Relative PSA | 0.23789 |
| PolarSurfaceArea | 94.77 |
| Druglikeness | 1.427 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - (5Z)-5-(anthracen-9-ylmethylidene)-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(anthracen-9-ylmethylidene)-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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