(2Z)-6-[(2-chloro-4-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
Formula:C21H13NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-[(2-chloro-4-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-6-[(2-chloro-4-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one |
| MolecularFormula | C21H13NO3ClF |
| Smiles | O=C1c(ccc(OCc(ccc(F)c2)c2Cl)c2)c2O/C1=C\c1ccncc1 |
| InChI | InChI=1S/C21H13ClFNO3/c22-18-10-15(23)2-1-14(18)12-26-16-3-4-17-19(11-16)27-20(21(17)25)9-13-5-7-24-8-6-13/h1-11H,12H2 |
| InChIK | LRXDPKRGDAITHG-UHFFFAOYSA-N |
| TotalMolweight | 381.789 |
| Molweight | 381.789 |
| MonoisotopicMass | 381.056799 |
| CLogP | 4.3726 |
| CLogS | -5.738 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.03 |
| Relative PSA | 0.15944 |
| PolarSurfaceArea | 48.42 |
| Druglikeness | -1.205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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