Chemical Name - 3-Amino-4-Bromophenol
Mol Weight - 188.024
Smiles - Nc(cc(cc1)O)c1Br
Mol Weight - 188.024
Smiles - Nc(cc(cc1)O)c1Br
| Property Value | |
| Mol Name | 3-Amino-4-Bromophenol |
| Molweight | 188.024 |
| Monoisotopic Mass | 186.963275 |
| Clogp | 1.3618 |
| Clogs | -2.23 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 106.76 |
| Relative Psa | 0.26574 |
| Polar Surface Area | 46.25 |
| Druglikeness | -3.6689 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | Nc(cc(cc1)O)c1Br |
| InChIKey | InChI=1S/C6H6BrNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2 |
| InChI | JJNOHJJIVAVDLP-UHFFFAOYSA-N |
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1 - 3-Amino-4-Bromophenol
2 - 3-Amino-4-Bromophenol
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