(E)-12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
Formula:C17H21OF13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol is not a drug-like molecule.
| MolName | (E)-12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol |
| MolecularFormula | C17H21OF13 |
| Smiles | OCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2 |
| InChIK | OCVCPUQNCRNBAZ-UHFFFAOYSA-N |
| TotalMolweight | 488.327 |
| Molweight | 488.327 |
| MonoisotopicMass | 488.138479 |
| CLogP | 8.3716 |
| CLogS | -7.279 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 315.2 |
| Relative PSA | 0.041561 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -124.59 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 15 |
| Sp3Atoms | 16 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (E)-12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol | 2 - (E)-12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
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