(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chloro-6-fluorophenyl)-1,3-oxazol-5-one
Formula:C17H9NO4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chloro-6-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chloro-6-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C17H9NO4ClF |
| Smiles | O=C1OC(c(c(F)ccc2)c2Cl)=N/C1=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H9ClFNO4/c18-10-2-1-3-11(19)15(10)16-20-12(17(21)24-16)6-9-4-5-13-14(7-9)23-8-22-13/h1-7H,8H2 |
| InChIK | UNVRAJDARQYWOD-UHFFFAOYSA-N |
| TotalMolweight | 345.712 |
| Molweight | 345.712 |
| MonoisotopicMass | 345.020414 |
| CLogP | 3.41 |
| CLogS | -5.68 |
| H Acceptors | 5 |
| TotalSurfaceArea | 236.98 |
| Relative PSA | 0.23019 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -0.40617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 - (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chloro-6-fluorophenyl)-1,3-oxazol-5-one | 2 - (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chloro-6-fluorophenyl)-1,3-oxazol-5-one
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