(E)-7-(oxan-2-yloxy)hept-3-en-1-ol
Formula:C12H22O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-7-(oxan-2-yloxy)hept-3-en-1-ol is a drug-like molecule.
| MolName | (E)-7-(oxan-2-yloxy)hept-3-en-1-ol |
| MolecularFormula | C12H22O3 |
| Smiles | OCC/C=C/CCCOC1OCCCC1 |
| InChI | InChI=1S/C12H22O3/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h1-2,12-13H,3-11H2/t12-/m0/s1 |
| InChIK | ABHBROKWGIRFEX-LBPRGKRZSA-N |
| TotalMolweight | 214.304 |
| Molweight | 214.304 |
| MonoisotopicMass | 214.156895 |
| CLogP | 2.4648 |
| CLogS | -2.118 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 189.19 |
| Relative PSA | 0.17496 |
| PolarSurfaceArea | 38.69 |
| Druglikeness | -12.264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.86667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 13 |
| StereoCon | racemate |
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