[(E)-pent-1-enyl]boronic acid
Formula:C5H11O2B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-pent-1-enyl]boronic acid is a drug-like molecule.
| MolName | [(E)-pent-1-enyl]boronic acid |
| MolecularFormula | C5H11O2B |
| Smiles | CCC/C=C/B(O)O |
| InChI | InChI=1S/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3 |
| InChIK | SYKWJOZHNDPWIM-UHFFFAOYSA-N |
| TotalMolweight | 113.951 |
| Molweight | 113.951 |
| MonoisotopicMass | 114.08521 |
| CLogP | 1.7257 |
| CLogS | 1.087 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 107.08 |
| Relative PSA | 0.24468 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -16.618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.875 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon |
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