1-chloro-4-[dichloro(fluoro)methyl]benzene
Formula:C7H4Cl3F
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
1-chloro-4-[dichloro(fluoro)methyl]benzene is a drug-like molecule.
| MolName | 1-chloro-4-[dichloro(fluoro)methyl]benzene |
| MolecularFormula | C7H4Cl3F |
| Smiles | FC(c(cc1)ccc1Cl)(Cl)Cl |
| InChI | InChI=1S/C7H4Cl3F/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| InChIK | SDNGKOJRIZVNQA-UHFFFAOYSA-N |
| TotalMolweight | 213.466 |
| Molweight | 213.466 |
| MonoisotopicMass | 211.936259 |
| CLogP | 3.8646 |
| CLogS | -4.346 |
| TotalSurfaceArea | 136.28 |
| Druglikeness | -3.5051 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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