5-bromo-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
Formula:C13H8N2O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C13H8N2O2BrF3 |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C13H8BrF3N2O2/c14-11-6-5-10(21-11)12(20)19-18-7-8-3-1-2-4-9(8)13(15,16)17/h1-7H,(H,19,20) |
| InChIK | PGVXEKNRMUHGIP-UHFFFAOYSA-N |
| TotalMolweight | 361.117 |
| Molweight | 361.117 |
| MonoisotopicMass | 359.972123 |
| CLogP | 4.0612 |
| CLogS | -4.778 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.77 |
| Relative PSA | 0.22298 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -4.8932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide | 2 - 5-bromo-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off