3-[(Z)-anthracen-9-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H12N2OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-anthracen-9-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-anthracen-9-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H12N2OS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C18H12N2OS2/c21-17-11-23-18(22)20(17)19-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-10H,11H2 |
| InChIK | XAOZNOBKQGAEDO-UHFFFAOYSA-N |
| TotalMolweight | 336.438 |
| Molweight | 336.438 |
| MonoisotopicMass | 336.039103 |
| CLogP | 3.3306 |
| CLogS | -6.477 |
| H Acceptors | 3 |
| TotalSurfaceArea | 245.73 |
| Relative PSA | 0.29948 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.7847 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 3-[(Z)-anthracen-9-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-anthracen-9-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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