(E)-3-(2-chloro-6-fluorophenyl)prop-2-enal
Formula:C9H6OClF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enal is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)prop-2-enal |
| MolecularFormula | C9H6OClF |
| Smiles | O=C/C=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C9H6ClFO/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-6H |
| InChIK | CULZNIOWOCPUHH-UHFFFAOYSA-N |
| TotalMolweight | 184.597 |
| Molweight | 184.597 |
| MonoisotopicMass | 184.00912 |
| CLogP | 2.318 |
| CLogS | -3.282 |
| H Acceptors | 1 |
| TotalSurfaceArea | 141.07 |
| Relative PSA | 0.092436 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -6.5773 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
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