(5E)-3-naphthalen-1-yl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H12N2O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-naphthalen-1-yl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-naphthalen-1-yl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H12N2O3S2 |
| Smiles | [O-][N+](c1cccc(/C=C(\C(N2c3cccc4ccccc34)=O)/SC2=S)c1)=O |
| InChI | InChI=1S/C20H12N2O3S2/c23-19-18(12-13-5-3-8-15(11-13)22(24)25)27-20(26)21(19)17-10-4-7-14-6-1-2-9-16(14)17/h1-12H |
| InChIK | GNPDBEIHUUYIRV-UHFFFAOYSA-N |
| TotalMolweight | 392.458 |
| Molweight | 392.458 |
| MonoisotopicMass | 392.028933 |
| CLogP | 3.1651 |
| CLogS | -7.049 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.75 |
| Relative PSA | 0.32947 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -2.2883 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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