(2Z)-3-(4-chlorophenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
Formula:C10H7N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-(4-chlorophenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z)-3-(4-chlorophenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C10H7N2O3ClS |
| Smiles | [O-][N+](/C=C(/N1c(cc2)ccc2Cl)\SCC1=O)=O |
| InChI | InChI=1S/C10H7ClN2O3S/c11-7-1-3-8(4-2-7)13-9(14)6-17-10(13)5-12(15)16/h1-5H,6H2 |
| InChIK | OEWVCYOEOXODRZ-UHFFFAOYSA-N |
| TotalMolweight | 270.696 |
| Molweight | 270.696 |
| MonoisotopicMass | 269.98659 |
| CLogP | 0.9886 |
| CLogS | -4.075 |
| H Acceptors | 5 |
| TotalSurfaceArea | 182.86 |
| Relative PSA | 0.35273 |
| PolarSurfaceArea | 91.43 |
| Druglikeness | -2.752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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