3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H7N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H7N3O3S2 |
| Smiles | [O-][N+](c1cccc(/C=N\N(C(CS2)=O)C2=S)c1)=O |
| InChI | InChI=1S/C10H7N3O3S2/c14-9-6-18-10(17)12(9)11-5-7-2-1-3-8(4-7)13(15)16/h1-5H,6H2 |
| InChIK | URLDIISKIDCOAM-UHFFFAOYSA-N |
| TotalMolweight | 281.316 |
| Molweight | 281.316 |
| MonoisotopicMass | 280.992882 |
| CLogP | 0.0202 |
| CLogS | -3.725 |
| H Acceptors | 6 |
| TotalSurfaceArea | 200.2 |
| Relative PSA | 0.51953 |
| PolarSurfaceArea | 135.88 |
| Druglikeness | -1.3292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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