4-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H12N2O2BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H12N2O2BrF3 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C19H12BrF3N2O2/c20-15-6-4-12(5-7-15)18(26)25-24-11-16-8-9-17(27-16)13-2-1-3-14(10-13)19(21,22)23/h1-11H,(H,25,26) |
| InChIK | CJHHUALEWFZOEW-UHFFFAOYSA-N |
| TotalMolweight | 437.214 |
| Molweight | 437.214 |
| MonoisotopicMass | 436.003423 |
| CLogP | 5.714 |
| CLogS | -6.793 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.53 |
| Relative PSA | 0.17615 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -2.5117 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off