(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]chromen-4-one
Formula:C16H10O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]chromen-4-one is a drug-like molecule.
| MolName | (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]chromen-4-one |
| MolecularFormula | C16H10O2ClF |
| Smiles | O=C1c(cccc2)c2OC/C1=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H10ClFO2/c17-13-5-3-6-14(18)12(13)8-10-9-20-15-7-2-1-4-11(15)16(10)19/h1-8H,9H2 |
| InChIK | YYJMAENVZAGDGJ-UHFFFAOYSA-N |
| TotalMolweight | 288.704 |
| Molweight | 288.704 |
| MonoisotopicMass | 288.035335 |
| CLogP | 4.1306 |
| CLogS | -4.878 |
| H Acceptors | 2 |
| TotalSurfaceArea | 207.51 |
| Relative PSA | 0.11103 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.0605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]chromen-4-one | 2 - (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]chromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off