(Z)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-amine
Formula:C12H11NO2F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-amine is a drug-like molecule.
| MolName | (Z)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-amine |
| MolecularFormula | C12H11NO2F6S |
| Smiles | N/C(/C(C(C(F)F)(F)F)(F)F)=C\S(Cc1ccccc1)(=O)=O |
| InChI | InChI=1S/C12H11F6NO2S/c13-10(14)12(17,18)11(15,16)9(19)7-22(20,21)6-8-4-2-1-3-5-8/h1-5,7,10H,6,19H2 |
| InChIK | CZTDYXXBTUDZDL-UHFFFAOYSA-N |
| TotalMolweight | 347.278 |
| Molweight | 347.278 |
| MonoisotopicMass | 347.041467 |
| CLogP | 1.9221 |
| CLogS | -4.513 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.25 |
| Relative PSA | 0.19909 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | -32.709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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