bis(oxolan-2-ylmethyl) (E)-pent-2-enedioate
Formula:C15H22O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
bis(oxolan-2-ylmethyl) (E)-pent-2-enedioate is a drug-like molecule.
| MolName | bis(oxolan-2-ylmethyl) (E)-pent-2-enedioate |
| MolecularFormula | C15H22O6 |
| Smiles | O=C(C/C=C/C(OCC1OCCC1)=O)OCC1OCCC1 |
| InChI | InChI=1S/C15H22O6/c16-14(20-10-12-4-2-8-18-12)6-1-7-15(17)21-11-13-5-3-9-19-13/h1,6,12-13H,2-5,7-11H2 |
| InChIK | JRBHTNLFPJKDBW-UHFFFAOYSA-N |
| TotalMolweight | 298.334 |
| Molweight | 298.334 |
| MonoisotopicMass | 298.14164 |
| CLogP | 0.991 |
| CLogS | -2.142 |
| H Acceptors | 6 |
| TotalSurfaceArea | 237.34 |
| Relative PSA | 0.27842 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | -6.5075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 15 |
| StereoCon | unknown chirality |
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