(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
Formula:C17H9NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C17H9NO4Cl2 |
| Smiles | O=C1OC(c(cccc2)c2Cl)=N/C1=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C17H9Cl2NO4/c18-11-4-2-1-3-10(11)16-20-13(17(21)24-16)5-9-6-14-15(7-12(9)19)23-8-22-14/h1-7H,8H2 |
| InChIK | IKGDQCCIKQIBMT-UHFFFAOYSA-N |
| TotalMolweight | 362.167 |
| Molweight | 362.167 |
| MonoisotopicMass | 360.990863 |
| CLogP | 3.9152 |
| CLogS | -6.102 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.05 |
| Relative PSA | 0.2217 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | 0.93383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
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