(4Z)-2-phenyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
Formula:C14H9NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-phenyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-phenyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C14H9NO2S |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1cscc1 |
| InChI | InChI=1S/C14H9NO2S/c16-14-12(8-10-6-7-18-9-10)15-13(17-14)11-4-2-1-3-5-11/h1-9H |
| InChIK | VJRCBZGNLMQBNZ-UHFFFAOYSA-N |
| TotalMolweight | 255.296 |
| Molweight | 255.296 |
| MonoisotopicMass | 255.035399 |
| CLogP | 2.3762 |
| CLogS | -3.819 |
| H Acceptors | 3 |
| TotalSurfaceArea | 190.89 |
| Relative PSA | 0.28765 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 1.4929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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