(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol
Formula:C9H4OF13I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol is not a drug-like molecule.
| MolName | (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol |
| MolecularFormula | C9H4OF13I |
| Smiles | OC/C(/I)=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C9H4F13IO/c10-4(11,1-3(23)2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1,24H,2H2 |
| InChIK | HUIAECWNXSPFSH-UHFFFAOYSA-N |
| TotalMolweight | 502.004 |
| Molweight | 502.004 |
| MonoisotopicMass | 501.909927 |
| CLogP | 5.5814 |
| CLogS | -5.533 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 229.61 |
| Relative PSA | 0.057053 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -101.87 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol | 2 - (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-2-en-1-ol
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