3-chloro-4-[(2,4-dichlorophenyl)methyl]aniline
Formula:C13H10NCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-chloro-4-[(2,4-dichlorophenyl)methyl]aniline is a drug-like molecule.
| MolName | 3-chloro-4-[(2,4-dichlorophenyl)methyl]aniline |
| MolecularFormula | C13H10NCl3 |
| Smiles | Nc1cc(Cl)c(Cc(ccc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C13H10Cl3N/c14-10-3-1-8(12(15)6-10)5-9-2-4-11(17)7-13(9)16/h1-4,6-7H,5,17H2 |
| InChIK | RJGALUDQGAUZEW-UHFFFAOYSA-N |
| TotalMolweight | 286.588 |
| Molweight | 286.588 |
| MonoisotopicMass | 284.98788 |
| CLogP | 4.6162 |
| CLogS | -5.611 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 201.56 |
| Relative PSA | 0.075759 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -1.778 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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