(5Z)-3-cyclopropyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopropyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclopropyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H10N2O3S2 |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2C3CC3)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C13H10N2O3S2/c16-12-11(20-13(19)14(12)9-4-5-9)7-8-2-1-3-10(6-8)15(17)18/h1-3,6-7,9H,4-5H2 |
| InChIK | XZPDBQCMRBOOJR-UHFFFAOYSA-N |
| TotalMolweight | 306.365 |
| Molweight | 306.365 |
| MonoisotopicMass | 306.013283 |
| CLogP | 1.0052 |
| CLogS | -4.362 |
| H Acceptors | 5 |
| TotalSurfaceArea | 212.91 |
| Relative PSA | 0.43446 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -1.7359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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