(4Z)-4-benzylidene-3-(phenylsulfanylmethyl)-1,2-oxazol-5-one
Formula:C17H13NO2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-benzylidene-3-(phenylsulfanylmethyl)-1,2-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-benzylidene-3-(phenylsulfanylmethyl)-1,2-oxazol-5-one |
| MolecularFormula | C17H13NO2S |
| Smiles | O=C1ON=C(CSc2ccccc2)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C17H13NO2S/c19-17-15(11-13-7-3-1-4-8-13)16(18-20-17)12-21-14-9-5-2-6-10-14/h1-11H,12H2 |
| InChIK | PJSQSFAIYIRCMG-UHFFFAOYSA-N |
| TotalMolweight | 295.361 |
| Molweight | 295.361 |
| MonoisotopicMass | 295.066699 |
| CLogP | 4.2243 |
| CLogS | -4.489 |
| H Acceptors | 3 |
| TotalSurfaceArea | 226.2 |
| Relative PSA | 0.23006 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -0.82991 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-benzylidene-3-(phenylsulfanylmethyl)-1,2-oxazol-5-one | 2 - (4Z)-4-benzylidene-3-(phenylsulfanylmethyl)-1,2-oxazol-5-one
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