3-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H8N2O2Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H8N2O2Cl2S2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C14H8Cl2N2O2S2/c15-8-1-3-10(11(16)5-8)12-4-2-9(20-12)6-17-18-13(19)7-22-14(18)21/h1-6H,7H2 |
| InChIK | WFDUCQMIZYPTRU-UHFFFAOYSA-N |
| TotalMolweight | 371.268 |
| Molweight | 371.268 |
| MonoisotopicMass | 369.940422 |
| CLogP | 3.0927 |
| CLogS | -6.197 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.82 |
| Relative PSA | 0.34148 |
| PolarSurfaceArea | 103.2 |
| Druglikeness | 6.3697 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 3-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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