Chemical Name - Propanil
Mol Weight - 218.082
Smiles - CCC(Nc(cc1)cc(Cl)c1Cl)=O
Mol Weight - 218.082
Smiles - CCC(Nc(cc1)cc(Cl)c1Cl)=O
| Property Value | |
| Mol Name | Propanil |
| Molweight | 218.082 |
| Monoisotopic Mass | 217.006118 |
| Clogp | 3.0297 |
| Clogs | -3.7 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 159.33 |
| Relative Psa | 0.15377 |
| Polar Surface Area | 29.1 |
| Druglikeness | 1.8121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.37213 |
| Molecular Complexity | 0.65854 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Amides | 1 |
| Smiles | CCC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChIKey | InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChI | LFULEKSKNZEWOE-UHFFFAOYSA-N |
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