(4E)-4-(naphthalen-1-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C18H11NO2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-4-(naphthalen-1-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-(naphthalen-1-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C18H11NO2S |
| Smiles | O=C1OC(c2cccs2)=N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C18H11NO2S/c20-18-15(19-17(21-18)16-9-4-10-22-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H |
| InChIK | GJINBAHUILRXAY-UHFFFAOYSA-N |
| TotalMolweight | 305.356 |
| Molweight | 305.356 |
| MonoisotopicMass | 305.051049 |
| CLogP | 3.6528 |
| CLogS | -5.535 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.49 |
| Relative PSA | 0.24351 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.6348 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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