[(E)-non-1-enyl]boronic acid
Formula:C9H19O2B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-non-1-enyl]boronic acid is a drug-like molecule.
| MolName | [(E)-non-1-enyl]boronic acid |
| MolecularFormula | C9H19O2B |
| Smiles | CCCCCCC/C=C/B(O)O |
| InChI | InChI=1S/C9H19BO2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9,11-12H,2-7H2,1H3 |
| InChIK | QQYXRMSFSNQEBV-UHFFFAOYSA-N |
| TotalMolweight | 170.059 |
| Molweight | 170.059 |
| MonoisotopicMass | 170.14781 |
| CLogP | 3.5433 |
| CLogS | 0.0070001 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 162.12 |
| Relative PSA | 0.16161 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -32.017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.91667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 7 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| StereoCon |
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