5-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C18H11N3O2BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H11N3O2BrF3 |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C18H11BrF3N3O2/c19-14-7-12(8-23-9-14)17(26)25-24-10-15-4-5-16(27-15)11-2-1-3-13(6-11)18(20,21)22/h1-10H,(H,25,26) |
| InChIK | YEBNRPLQSPYSIX-UHFFFAOYSA-N |
| TotalMolweight | 438.202 |
| Molweight | 438.202 |
| MonoisotopicMass | 436.998672 |
| CLogP | 4.7131 |
| CLogS | -5.998 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.29 |
| Relative PSA | 0.21564 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -2.5117 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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