(E)-1-(2-chlorophenyl)-3-(9H-fluoren-2-yl)prop-2-en-1-one
Formula:C22H15OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(2-chlorophenyl)-3-(9H-fluoren-2-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2-chlorophenyl)-3-(9H-fluoren-2-yl)prop-2-en-1-one |
| MolecularFormula | C22H15OCl |
| Smiles | O=C(/C=C/c(cc1)cc(C2)c1-c1c2cccc1)c(cccc1)c1Cl |
| InChI | InChI=1S/C22H15ClO/c23-21-8-4-3-7-20(21)22(24)12-10-15-9-11-19-17(13-15)14-16-5-1-2-6-18(16)19/h1-13H,14H2 |
| InChIK | VDBTUGSRBUXADC-UHFFFAOYSA-N |
| TotalMolweight | 330.813 |
| Molweight | 330.813 |
| MonoisotopicMass | 330.081142 |
| CLogP | 5.9281 |
| CLogS | -7.287 |
| H Acceptors | 1 |
| TotalSurfaceArea | 252.71 |
| Relative PSA | 0.051601 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.10288 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(2-chlorophenyl)-3-(9H-fluoren-2-yl)prop-2-en-1-one | 2 - (E)-1-(2-chlorophenyl)-3-(9H-fluoren-2-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off