(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-fluorochromen-4-one
Formula:C16H9O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-fluorochromen-4-one is a drug-like molecule.
| MolName | (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-fluorochromen-4-one |
| MolecularFormula | C16H9O2ClF2 |
| Smiles | O=C1c(cc(cc2)F)c2OC/C1=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H9ClF2O2/c17-13-2-1-3-14(19)11(13)6-9-8-21-15-5-4-10(18)7-12(15)16(9)20/h1-7H,8H2 |
| InChIK | CVATWJAFCPJZOS-UHFFFAOYSA-N |
| TotalMolweight | 306.694 |
| Molweight | 306.694 |
| MonoisotopicMass | 306.025913 |
| CLogP | 4.2314 |
| CLogS | -5.192 |
| H Acceptors | 2 |
| TotalSurfaceArea | 213.86 |
| Relative PSA | 0.10773 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.0605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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