[(E)-5-chloropent-1-enyl]boronic acid
Formula:C5H10O2BCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[(E)-5-chloropent-1-enyl]boronic acid is a drug-like molecule.
| MolName | [(E)-5-chloropent-1-enyl]boronic acid |
| MolecularFormula | C5H10O2BCl |
| Smiles | OB(/C=C/CCCCl)O |
| InChI | InChI=1S/C5H10BClO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2 |
| InChIK | AWQUWTLNJDUEMT-UHFFFAOYSA-N |
| TotalMolweight | 148.396 |
| Molweight | 148.396 |
| MonoisotopicMass | 148.046237 |
| CLogP | 1.955 |
| CLogS | 0.686 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 124 |
| Relative PSA | 0.21129 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -19.708 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon |
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