5-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C19H11N3O2BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C19H11N3O2BrCl |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C19H11BrClN3O2/c20-14-5-6-16-12(8-14)9-17(26-16)19(25)24-22-10-13-7-11-3-1-2-4-15(11)23-18(13)21/h1-10H,(H,24,25) |
| InChIK | YQOJHOFOFQDXHN-UHFFFAOYSA-N |
| TotalMolweight | 428.672 |
| Molweight | 428.672 |
| MonoisotopicMass | 426.972315 |
| CLogP | 5.4518 |
| CLogS | -6.943 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.69 |
| Relative PSA | 0.2192 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 2.9322 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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