3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H11N2OClS2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H11N2OClS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C18H11ClN2OS2/c19-17-13-7-3-1-5-11(13)15(12-6-2-4-8-14(12)17)9-20-21-16(22)10-24-18(21)23/h1-9H,10H2 |
| InChIK | UIQFQHOOYWACPA-UHFFFAOYSA-N |
| TotalMolweight | 370.883 |
| Molweight | 370.883 |
| MonoisotopicMass | 370.00013 |
| CLogP | 3.9366 |
| CLogS | -7.213 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.15 |
| Relative PSA | 0.28179 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.8236 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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)-(10-chloroanthracen-9-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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