(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-nitrooct-1-en-2-amine
Formula:C8H3N2O2F13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-nitrooct-1-en-2-amine is a drug-like molecule.
| MolName | (Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-nitrooct-1-en-2-amine |
| MolecularFormula | C8H3N2O2F13 |
| Smiles | N/C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=C\[N+]([O-])=O |
| InChI | InChI=1S/C8H3F13N2O2/c9-3(10,2(22)1-23(24)25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H,22H2 |
| InChIK | GSRLSYLGJHUFHK-UHFFFAOYSA-N |
| TotalMolweight | 406.098 |
| Molweight | 406.098 |
| MonoisotopicMass | 405.998692 |
| CLogP | 3.1182 |
| CLogS | -5.735 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.41 |
| Relative PSA | 0.21211 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | -107.9 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 17 |
| Electronegative Atoms | 17 |
| Rotatable Bond | 7 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-nitrooct-1-en-2-amine | 2 - (Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-nitrooct-1-en-2-amine
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