5-bromo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C17H10N2O2BrF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C17H10N2O2BrF3 |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H10BrF3N2O2/c18-13-4-5-14-11(7-13)8-15(25-14)16(24)23-22-9-10-2-1-3-12(6-10)17(19,20)21/h1-9H,(H,23,24) |
| InChIK | ZYNYXSIBBLLFGN-UHFFFAOYSA-N |
| TotalMolweight | 411.176 |
| Molweight | 411.176 |
| MonoisotopicMass | 409.987773 |
| CLogP | 5.2807 |
| CLogS | -6.516 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.37 |
| Relative PSA | 0.19324 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -4.2987 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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