(E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
Formula:C7H5OF9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol |
| MolecularFormula | C7H5OF9 |
| Smiles | OC/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2 |
| InChIK | PJZRJKWUZCHGGW-UHFFFAOYSA-N |
| TotalMolweight | 276.098 |
| Molweight | 276.098 |
| MonoisotopicMass | 276.019667 |
| CLogP | 3.3184 |
| CLogS | -3.683 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 158.9 |
| Relative PSA | 0.082442 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -103.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol | 2 - (E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off