(2Z)-2-(nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one
Formula:C10H8N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z)-2-(nitromethylidene)-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C10H8N2O3S |
| Smiles | [O-][N+](/C=C(/N1c2ccccc2)\SCC1=O)=O |
| InChI | InChI=1S/C10H8N2O3S/c13-9-7-16-10(6-11(14)15)12(9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIK | WZAJGYJJKCRCCZ-UHFFFAOYSA-N |
| TotalMolweight | 236.251 |
| Molweight | 236.251 |
| MonoisotopicMass | 236.025563 |
| CLogP | 0.3826 |
| CLogS | -3.339 |
| H Acceptors | 5 |
| TotalSurfaceArea | 167.44 |
| Relative PSA | 0.38521 |
| PolarSurfaceArea | 91.43 |
| Druglikeness | -2.8173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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