Chemical Name - Butyl Paraben
Mol Weight - 194.229
Smiles - CCCCOC(c(cc1)ccc1O)=O
Mol Weight - 194.229
Smiles - CCCCOC(c(cc1)ccc1O)=O
| Property Value | |
| Mol Name | Butyl Paraben |
| Molweight | 194.229 |
| Monoisotopic Mass | 194.094295 |
| Clogp | 2.542 |
| Clogs | -2.301 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 160.9 |
| Relative Psa | 0.22461 |
| Polar Surface Area | 46.53 |
| Druglikeness | -6.3326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.78571 |
| Molecular Flexibility | 0.46752 |
| Molecular Complexity | 0.50377 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CCCCOC(c(cc1)ccc1O)=O |
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1 - Butyl Paraben
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1 - Butyl Paraben
2 - Butyl Paraben
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