(E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]amino]ethylamino]but-3-en-2-one
Formula:C16H16N3O3F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]amino]ethylamino]but-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]amino]ethylamino]but-3-en-2-one |
| MolecularFormula | C16H16N3O3F9 |
| Smiles | O=C(C(F)(F)F)/C=C/NCCN(CCN/C=C/C(C(F)(F)F)=O)/C=C/C(C(F)(F)F)=O |
| InChI | InChI=1S/C16H16F9N3O3/c17-14(18,19)11(29)1-4-26-6-9-28(8-3-13(31)16(23,24)25)10-7-27-5-2-12(30)15(20,21)22/h1-5,8,26-27H,6-7,9-10H2 |
| InChIK | BSPLQKWNWVLEND-UHFFFAOYSA-N |
| TotalMolweight | 469.303 |
| Molweight | 469.303 |
| MonoisotopicMass | 469.104794 |
| CLogP | 0.231 |
| CLogS | -3.745 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 322.89 |
| Relative PSA | 0.20313 |
| PolarSurfaceArea | 78.51 |
| Druglikeness | -29.604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 15 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]amino]ethylamino]but-3-en-2-one | 2 - (E)-1,1,1-trifluoro-4-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]amino]ethylamino]but-3-en-2-one
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