(3Z)-3-[9-(oxiran-2-yl)nonylidene]oxolan-2-one
Formula:C15H24O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[9-(oxiran-2-yl)nonylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3Z)-3-[9-(oxiran-2-yl)nonylidene]oxolan-2-one |
| MolecularFormula | C15H24O3 |
| Smiles | O=C1OCC/C1=C/CCCCCCCCC1OC1 |
| InChI | InChI=1S/C15H24O3/c16-15-13(10-11-17-15)8-6-4-2-1-3-5-7-9-14-12-18-14/h8,14H,1-7,9-12H2/t14-/m0/s1 |
| InChIK | FIOSIWSWQHCRDF-AWEZNQCLSA-N |
| TotalMolweight | 252.353 |
| Molweight | 252.353 |
| MonoisotopicMass | 252.172545 |
| CLogP | 3.4553 |
| CLogS | -3.144 |
| H Acceptors | 3 |
| TotalSurfaceArea | 220.47 |
| Relative PSA | 0.18456 |
| PolarSurfaceArea | 38.83 |
| Druglikeness | -8.735 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| StereoCon | racemate |
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