Chemical Name - 6-Bromo Hexanoic Acid
Mol Weight - 195.055
Smiles - OC(CCCCCBr)=O
Mol Weight - 195.055
Smiles - OC(CCCCCBr)=O
| Property Value | |
| Mol Name | 6-Bromo Hexanoic Acid |
| Molweight | 195.055 |
| Monoisotopic Mass | 193.994241 |
| Clogp | 1.8788 |
| Clogs | -2.082 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 125.03 |
| Relative Psa | 0.20907 |
| Polar Surface Area | 37.3 |
| Druglikeness | -29.565 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.88889 |
| Molecular Flexibility | 0.62384 |
| Molecular Complexity | 0.44794 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 6 |
| Acidic Oxygens | 1 |
| Smiles | OC(CCCCCBr)=O |
| InChIKey | InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9) |
| InChI | NVRVNSHHLPQGCU-UHFFFAOYSA-N |
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1 - 6-Bromo Hexanoic Acid
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1 - 6-Bromo Hexanoic Acid
2 - 6-Bromo Hexanoic Acid
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