3-[(Z)-benzylideneamino]-2-imino-1,3-thiazolidin-4-one
Formula:C10H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-benzylideneamino]-2-imino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]-2-imino-1,3-thiazolidin-4-one |
| MolecularFormula | C10H9N3OS |
| Smiles | N=C(N1/N=C\c2ccccc2)SCC1=O |
| InChI | InChI=1S/C10H9N3OS/c11-10-13(9(14)7-15-10)12-6-8-4-2-1-3-5-8/h1-6,11H,7H2 |
| InChIK | JSILOAOKQUYXAC-UHFFFAOYSA-N |
| TotalMolweight | 219.267 |
| Molweight | 219.267 |
| MonoisotopicMass | 219.046632 |
| CLogP | 0.888 |
| CLogS | -2.094 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 164.13 |
| Relative PSA | 0.37281 |
| PolarSurfaceArea | 81.82 |
| Druglikeness | 4.4613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-[(Z)-benzylideneamino]-2-imino-1,3-thiazolidin-4-one | 2 - 3-[(Z)-benzylideneamino]-2-imino-1,3-thiazolidin-4-one
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