Chemical Name - Bromo Butyronitrile
Mol Weight - 148.003
Smiles - CCC(C#N)Br
Mol Weight - 148.003
Smiles - CCC(C#N)Br
| Property Value | |
| Mol Name | Bromo Butyronitrile |
| Molweight | 148.003 |
| Monoisotopic Mass | 146.96836 |
| Clogp | 1.4439 |
| Clogs | -2.141 |
| H Acceptors | 1 |
| Total Surface Area | 92.36 |
| Relative Psa | 0.14682 |
| Polar Surface Area | 23.79 |
| Druglikeness | -9.2879 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.49453 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Smiles | CCC(C#N)Br |
| InChIKey | InChI=1S/C4H6BrN/c1-2-4(5)3-6/h4H,2H2,1H3 |
| InChI | CIBGXJVJPZCMFX-UHFFFAOYSA-N |
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1 - Bromo Butyronitrile
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1 - Bromo Butyronitrile
2 - Bromo Butyronitrile
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