(Z)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine
Formula:C6H3N2O2F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine is a drug-like molecule.
| MolName | (Z)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine |
| MolecularFormula | C6H3N2O2F9 |
| Smiles | N/C(/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)=C\[N+]([O-])=O |
| InChI | InChI=1S/C6H3F9N2O2/c7-3(8,2(16)1-17(18)19)4(9,10)5(11,12)6(13,14)15/h1H,16H2 |
| InChIK | KOWLYEPMLCWOSK-UHFFFAOYSA-N |
| TotalMolweight | 306.084 |
| Molweight | 306.084 |
| MonoisotopicMass | 306.00508 |
| CLogP | 1.7002 |
| CLogS | -4.299 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 169.19 |
| Relative PSA | 0.27005 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | -107.9 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine | 2 - (Z)-3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohex-1-en-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off