Mol Weight - 314.598
Smiles - O=C(CCl)N(c1ccccc1)c(c(Cl)ccc1)c1Cl
InChI - BPEUHDIEZQWRGC-UHFFFAOYSA-N
InChIKey - InChI=1S/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2
| Property Name | Property Value |
| Mol Name | N-(Alpha-Chloroacetyl) -N-Phenyl 2, 6-Dichloroaniline |
| Molweight | 314.598 |
| Monoisotopic Mass | 312.982795 |
| Clogp | 3.713 |
| Clogs | -5.827 |
| H Acceptors | 2 |
| Total Surface Area | 221.09 |
| Relative Psa | 0.075037 |
| Polar Surface Area | 20.31 |
| Druglikeness | 1.25 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.47368 |
| Molecular Flexibility | 0.45048 |
| Molecular Complexity | 0.77811 |
| Fragments | 1 |
| Non H Atoms | 19 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 5 |
| Amides | 1 |
| Smiles | O=C(CCl)N(c1ccccc1)c(c(Cl)ccc1)c1Cl |
| InChIKey | InChI=1S/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2 |
| InChI | BPEUHDIEZQWRGC-UHFFFAOYSA-N |
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1 — N-(Alpha-Chloroacetyl) -N-Phenyl 2, 6-Dichloroaniline | 2 — N-(Alpha-Chloroacetyl) -N-Phenyl 2, 6-Dichloroaniline