(4Z)-2-(4-phenylphenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Formula:C20H13NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-phenylphenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(4-phenylphenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C20H13NO2S |
| Smiles | O=C1OC(c(cc2)ccc2-c2ccccc2)=N/C1=C\c1cccs1 |
| InChI | InChI=1S/C20H13NO2S/c22-20-18(13-17-7-4-12-24-17)21-19(23-20)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H |
| InChIK | IULUZQNTKNKKII-UHFFFAOYSA-N |
| TotalMolweight | 331.394 |
| Molweight | 331.394 |
| MonoisotopicMass | 331.066699 |
| CLogP | 4.1176 |
| CLogS | -6.015 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.65 |
| Relative PSA | 0.21907 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.6348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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