[(E)-hept-1-enyl]boronic acid
Formula:C7H15O2B
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-hept-1-enyl]boronic acid is a drug-like molecule.
| MolName | [(E)-hept-1-enyl]boronic acid |
| MolecularFormula | C7H15O2B |
| Smiles | CCCCC/C=C/B(O)O |
| InChI | InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3 |
| InChIK | LDTJUGVTOZBIBN-UHFFFAOYSA-N |
| TotalMolweight | 142.005 |
| Molweight | 142.005 |
| MonoisotopicMass | 142.11651 |
| CLogP | 2.6345 |
| CLogS | 0.547 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 134.6 |
| Relative PSA | 0.19465 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -25.168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.9 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| StereoCon |
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