Chemical Name - Isoprene
Mol Weight - 68.1185
Smiles - CC(C=C)=C
Mol Weight - 68.1185
Smiles - CC(C=C)=C
| Property Value | |
| Mol Name | Isoprene |
| Molweight | 68.1185 |
| Monoisotopic Mass | 68.0626 |
| Clogp | 2.1214 |
| Clogs | -1.526 |
| Total Surface Area | 73.05 |
| Druglikeness | -13.02 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.040646 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 1 |
| Smiles | CC(C=C)=C |
| InChIKey | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
| InChI | RRHGJUQNOFWUDK-UHFFFAOYSA-N |
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1 - Isoprene
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