Chemical Name - 1,4-Dibromobutane
Mol Weight - 215.916
Smiles - BrCCCCBr
Mol Weight - 215.916
Smiles - BrCCCCBr
| Property Value | |
| Mol Name | 1,4-Dibromobutane |
| Molweight | 215.916 |
| Monoisotopic Mass | 213.899272 |
| Clogp | 2.6066 |
| Clogs | -2.61 |
| Total Surface Area | 105.8 |
| Druglikeness | -15.89 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.59787 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 3 |
| Smiles | BrCCCCBr |
| InChIKey | InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2 |
| InChI | ULTHEAFYOOPTTB-UHFFFAOYSA-N |
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1 - 1,4-Dibromobutane
2 - 1,4-Dibromobutane
1 - 1,4-Dibromobutane
2 - 1,4-Dibromobutane
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