(3Z)-3-dodec-11-enylidene-5-hydroxyoxan-2-one
Formula:C17H28O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-dodec-11-enylidene-5-hydroxyoxan-2-one is a drug-like molecule.
| MolName | (3Z)-3-dodec-11-enylidene-5-hydroxyoxan-2-one |
| MolecularFormula | C17H28O3 |
| Smiles | C=CCCCCCCCCC/C=C(/CC(CO1)O)\C1=O |
| InChI | InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(18)14-20-17(15)19/h2,12,16,18H,1,3-11,13-14H2/t16-/m1/s1 |
| InChIK | MMUHBPKOTCFYFO-MRXNPFEDSA-N |
| TotalMolweight | 280.406 |
| Molweight | 280.406 |
| MonoisotopicMass | 280.203845 |
| CLogP | 4.459 |
| CLogS | -3.649 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.21 |
| Relative PSA | 0.14619 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -11.776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 14 |
| StereoCon | racemate |
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