[(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)amino] carbonochloridate
Formula:C5H2N2O2ClF7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)amino] carbonochloridate is a drug-like molecule.
| MolName | [(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)amino] carbonochloridate |
| MolecularFormula | C5H2N2O2ClF7 |
| Smiles | N/C(/C(C(C(F)(F)F)(F)F)(F)F)=N/OC(Cl)=O |
| InChI | InChI=1S/C5H2ClF7N2O2/c6-2(16)17-15-1(14)3(7,8)4(9,10)5(11,12)13/h(H2,14,15) |
| InChIK | PJKHAAWYBKRSMY-UHFFFAOYSA-N |
| TotalMolweight | 290.522 |
| Molweight | 290.522 |
| MonoisotopicMass | 289.969301 |
| CLogP | 2.7776 |
| CLogS | -4.206 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 163.84 |
| Relative PSA | 0.30408 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -78.019 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)amino] carbonochloridate | 2 - [(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)amino] carbonochloridate
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