(5E)-5-[(3-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H13NO2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(3-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H13NO2S2 |
| Smiles | Oc1cccc(/C=C(\C(N2c3cccc4ccccc34)=O)/SC2=S)c1 |
| InChI | InChI=1S/C20H13NO2S2/c22-15-8-3-5-13(11-15)12-18-19(23)21(20(24)25-18)17-10-4-7-14-6-1-2-9-16(14)17/h1-12,22H |
| InChIK | GHEARDPEFOOOAT-UHFFFAOYSA-N |
| TotalMolweight | 363.46 |
| Molweight | 363.46 |
| MonoisotopicMass | 363.038769 |
| CLogP | 3.741 |
| CLogS | -6.293 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.43 |
| Relative PSA | 0.28539 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | 2.785 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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