3-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H6N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H6N3O3ClS2 |
| Smiles | [O-][N+](c(cc(/C=N/N(C(CS1)=O)C1=S)cc1)c1Cl)=O |
| InChI | InChI=1S/C10H6ClN3O3S2/c11-7-2-1-6(3-8(7)14(16)17)4-12-13-9(15)5-19-10(13)18/h1-4H,5H2 |
| InChIK | UMJYWCAHEYFAMO-UHFFFAOYSA-N |
| TotalMolweight | 315.761 |
| Molweight | 315.761 |
| MonoisotopicMass | 314.953909 |
| CLogP | 0.6262 |
| CLogS | -4.461 |
| H Acceptors | 6 |
| TotalSurfaceArea | 215.62 |
| Relative PSA | 0.48238 |
| PolarSurfaceArea | 135.88 |
| Druglikeness | -1.2792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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