5-bromo-7-iodo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
Formula:C18H12N2O2BrI
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
5-bromo-7-iodo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-7-iodo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C18H12N2O2BrI |
| Smiles | O=C(c1cc2cc(Br)cc(I)c2o1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H12BrIN2O2/c19-14-9-13-10-16(24-17(13)15(20)11-14)18(23)22-21-8-4-7-12-5-2-1-3-6-12/h1-11H,(H,22,23) |
| InChIK | VCNLPAXKRCBDAW-UHFFFAOYSA-N |
| TotalMolweight | 495.109 |
| Molweight | 495.109 |
| MonoisotopicMass | 493.912687 |
| CLogP | 4.8878 |
| CLogS | -7.046 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.69 |
| Relative PSA | 0.1773 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.3369 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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