5-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C17H10N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C17H10N3O2Br |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)cc1 |
| InChI | InChI=1S/C17H10BrN3O2/c18-14-5-6-15-13(7-14)8-16(23-15)17(22)21-20-10-12-3-1-11(9-19)2-4-12/h1-8,10H,(H,21,22) |
| InChIK | VXAICNIUVDPXJJ-UHFFFAOYSA-N |
| TotalMolweight | 368.189 |
| Molweight | 368.189 |
| MonoisotopicMass | 366.995638 |
| CLogP | 4.268 |
| CLogS | -6.511 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.62 |
| Relative PSA | 0.25308 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -1.3887 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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