(5Z)-3-benzyl-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N2O4S2 |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)c1O)=O |
| InChI | InChI=1S/C17H12N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-9,20H,10H2 |
| InChIK | ZTWBCEZQPRYIGY-UHFFFAOYSA-N |
| TotalMolweight | 372.424 |
| Molweight | 372.424 |
| MonoisotopicMass | 372.023848 |
| CLogP | 1.5479 |
| CLogS | -4.625 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.26 |
| Relative PSA | 0.3966 |
| PolarSurfaceArea | 143.75 |
| Druglikeness | -1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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