(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
Formula:C30H18N2OF2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one |
| MolecularFormula | C30H18N2OF2S |
| Smiles | O=C(/C(/S/C1=N\c(cc2)ccc2F)=C/c2c(cccc3)c3cc3ccccc23)N1c(cc1)ccc1F |
| InChI | InChI=1S/C30H18F2N2OS/c31-21-9-13-23(14-10-21)33-30-34(24-15-11-22(32)12-16-24)29(35)28(36-30)18-27-25-7-3-1-5-19(25)17-20-6-2-4-8-26(20)27/h1-18H |
| InChIK | VKQLIYRHWNSUBZ-UHFFFAOYSA-N |
| TotalMolweight | 492.548 |
| Molweight | 492.548 |
| MonoisotopicMass | 492.110789 |
| CLogP | 7.2684 |
| CLogS | -9.69 |
| H Acceptors | 3 |
| TotalSurfaceArea | 354.4 |
| Relative PSA | 0.12864 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 2.0237 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one | 2 - (5Z)-5-(anthracen-9-ylmethylidene)-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
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