(E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol
Formula:C19H21OF17
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol is not a drug-like molecule.
| MolName | (E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol |
| MolecularFormula | C19H21OF17 |
| Smiles | OCCCCCCCCC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2 |
| InChIK | MUCVGEGAZDOIDJ-UHFFFAOYSA-N |
| TotalMolweight | 588.341 |
| Molweight | 588.341 |
| MonoisotopicMass | 588.132091 |
| CLogP | 9.7896 |
| CLogS | -8.715 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 361.42 |
| Relative PSA | 0.036246 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -124.59 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 17 |
| Sp3Atoms | 18 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - (E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol | 2 - (E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol
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