[(E)-oct-1-enyl]boronic acid
Formula:C8H17O2B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-oct-1-enyl]boronic acid is a drug-like molecule.
| MolName | [(E)-oct-1-enyl]boronic acid |
| MolecularFormula | C8H17O2B |
| Smiles | CCCCCC/C=C/B(O)O |
| InChI | InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3 |
| InChIK | RBTAJLKAPFBZDQ-UHFFFAOYSA-N |
| TotalMolweight | 156.032 |
| Molweight | 156.032 |
| MonoisotopicMass | 156.13216 |
| CLogP | 3.0889 |
| CLogS | 0.277 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 148.36 |
| Relative PSA | 0.1766 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -29.148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.90909 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| StereoCon |
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