Chemical Name - 4-Bromoanisole
Mol Weight - 187.036
Smiles - COc(cc1)ccc1Br
Mol Weight - 187.036
Smiles - COc(cc1)ccc1Br
| Property Value | |
| Mol Name | 4-Bromoanisole |
| Molweight | 187.036 |
| Monoisotopic Mass | 185.968026 |
| Clogp | 2.3148 |
| Clogs | -2.468 |
| H Acceptors | 1 |
| Total Surface Area | 114.15 |
| Relative Psa | 0.087604 |
| Polar Surface Area | 9.23 |
| Druglikeness | -3.8746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.28257 |
| Molecular Complexity | 0.65976 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Smiles | COc(cc1)ccc1Br |
| InChIKey | InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChI | QJPJQTDYNZXKQF-UHFFFAOYSA-N |
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