(3E)-3-(naphthalen-2-ylmethylidene)thiochromen-4-one
Formula:C20H14OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(naphthalen-2-ylmethylidene)thiochromen-4-one is a drug-like molecule.
| MolName | (3E)-3-(naphthalen-2-ylmethylidene)thiochromen-4-one |
| MolecularFormula | C20H14OS |
| Smiles | O=C1c(cccc2)c2SC/C1=C/c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H14OS/c21-20-17(13-22-19-8-4-3-7-18(19)20)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-12H,13H2 |
| InChIK | SNJOBXKJBZNHTE-UHFFFAOYSA-N |
| TotalMolweight | 302.396 |
| Molweight | 302.396 |
| MonoisotopicMass | 302.076535 |
| CLogP | 4.2399 |
| CLogS | -6.196 |
| H Acceptors | 1 |
| TotalSurfaceArea | 227.83 |
| Relative PSA | 0.134 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 1.0056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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