Chemical Name - Bromocresol
Mol Weight - 187.036
Smiles - Cc(c(O)ccc1)c1Br
Mol Weight - 187.036
Smiles - Cc(c(O)ccc1)c1Br
| Property Value | |
| Mol Name | Bromocresol |
| Molweight | 187.036 |
| Monoisotopic Mass | 185.968026 |
| Clogp | 2.383 |
| Clogs | -2.498 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 110.5 |
| Relative Psa | 0.11855 |
| Polar Surface Area | 20.23 |
| Druglikeness | -4.105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.74893 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | Cc(c(O)ccc1)c1Br |
| InChIKey | InChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3 |
| InChI | WPDXAMRGYMDTOV-UHFFFAOYSA-N |
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1 - Bromocresol
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