| MolName | (4Z)-2-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO3Cl3 |
| Smiles | Oc(c(/C=C1\N=C(c(cc2)ccc2Cl)OC1=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H8Cl3NO3/c17-10-3-1-8(2-4-10)15-20-13(16(22)23-15)6-9-5-11(18)7-12(19)14(9)21/h1-7,21H |
| InChIK | PPMHLLNXVLSIPD-UHFFFAOYSA-N |
| TotalMolweight | 368.603 |
| Molweight | 368.603 |
| MonoisotopicMass | 366.956975 |
| CLogP | 4.0641 |
| CLogS | -5.831 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.56 |
| Relative PSA | 0.19248 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.97919 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-2-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(4-chlorophenyl)-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one