Chemical Name - Bronopol
Mol Weight - 199.988
Smiles - [O-][N+](C(CO)(CO)Br)=O
Mol Weight - 199.988
Smiles - [O-][N+](C(CO)(CO)Br)=O
| Property Value | |
| Mol Name | Bronopol |
| Molweight | 199.988 |
| Monoisotopic Mass | 198.94802 |
| Clogp | -1.009 |
| Clogs | -1.663 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 106.43 |
| Relative Psa | 0.53199 |
| Polar Surface Area | 86.28 |
| Druglikeness | -12.371 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.86621 |
| Molecular Complexity | 0.64124 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | [O-][N+](C(CO)(CO)Br)=O |
| InChIKey | InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2 |
| InChI | LVDKZNITIUWNER-UHFFFAOYSA-N |
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