(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
Formula:C15H7N3O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-[3,5-bis(trifluoromethyl)anilino]-2-(furan-2-yl)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-[3,5-bis(trifluoromethyl)anilino]-2-(furan-2-yl)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H7N3O2F6 |
| Smiles | N#C/C(/C(c1ccco1)=O)=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H7F6N3O2/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)23-24-11(7-22)13(25)12-2-1-3-26-12/h1-6,23H |
| InChIK | OHSGCRZIEMNGFE-UHFFFAOYSA-N |
| TotalMolweight | 375.228 |
| Molweight | 375.228 |
| MonoisotopicMass | 375.044245 |
| CLogP | 4.3111 |
| CLogS | -4.817 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.52 |
| Relative PSA | 0.24922 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -8.8646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-N-[3,5-bis(trifluoromethyl)anilino]-2-(furan-2-yl)-2-oxoethanimidoyl cyanide | 2 - (1Z)-N-[3,5-bis(trifluoromethyl)anilino]-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off