(Z)-4,4,4-trifluoro-2-iodobut-2-en-1-ol
Formula:C4H4OF3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,4,4-trifluoro-2-iodobut-2-en-1-ol is a drug-like molecule.
| MolName | (Z)-4,4,4-trifluoro-2-iodobut-2-en-1-ol |
| MolecularFormula | C4H4OF3I |
| Smiles | OC/C(/I)=C/C(F)(F)F |
| InChI | InChI=1S/C4H4F3IO/c5-4(6,7)1-3(8)2-9/h1,9H,2H2 |
| InChIK | IKZCFFDZPLSYCR-UHFFFAOYSA-N |
| TotalMolweight | 251.969 |
| Molweight | 251.969 |
| MonoisotopicMass | 251.925897 |
| CLogP | 2.0364 |
| CLogS | -1.943 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 114.06 |
| Relative PSA | 0.11485 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -7.5914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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