| MolName | [(E)-(1-amino-2,2,3,3,3-pentafluoropropylidene)amino] 2,2,3,3,3-pentafluoropropanoate |
| MolecularFormula | C6H2N2O2F10 |
| Smiles | N/C(/C(C(F)(F)F)(F)F)=N/OC(C(C(F)(F)F)(F)F)=O |
| InChI | InChI=1S/C6H2F10N2O2/c7-3(8,5(11,12)13)1(17)18-20-2(19)4(9,10)6(14,15)16/h(H2,17,18) |
| InChIK | QFKHJHWAPCCYTQ-UHFFFAOYSA-N |
| TotalMolweight | 324.074 |
| Molweight | 324.074 |
| MonoisotopicMass | 323.995658 |
| CLogP | 2.5711 |
| CLogS | -4.112 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 177.88 |
| Relative PSA | 0.28008 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -74.779 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(E)-(1-amino-2,2,3,3,3-pentafluoropropylidene)amino] 2,2,3,3,3-pentafluoropropanoate | 2 - [(E)-(1-amino-2,2,3,3,3-pentafluoropropylidene)amino] 2,2,3,3,3-pentafluoropropanoate