(Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol
Formula:C6H4OF7I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol is a drug-like molecule.
| MolName | (Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pent-2-en-1-ol |
| MolecularFormula | C6H4OF7I |
| Smiles | OC/C(/I)=C/C(C(F)(F)F)(C(F)(F)F)F |
| InChI | InChI=1S/C6H4F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h1,15H,2H2 |
| InChIK | RLTYZSOFMJFAHD-UHFFFAOYSA-N |
| TotalMolweight | 351.983 |
| Molweight | 351.983 |
| MonoisotopicMass | 351.919509 |
| CLogP | 3.035 |
| CLogS | -3.245 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 160.28 |
| Relative PSA | 0.081732 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -20.619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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