N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-iodobenzamide
Formula:C18H12N2O2BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-iodobenzamide |
| MolecularFormula | C18H12N2O2BrI |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C18H12BrIN2O2/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-21-22-18(23)15-3-1-2-4-16(15)20/h1-11H,(H,22,23) |
| InChIK | GCCKGGGZMAVQBG-UHFFFAOYSA-N |
| TotalMolweight | 495.109 |
| Molweight | 495.109 |
| MonoisotopicMass | 493.912687 |
| CLogP | 5.3028 |
| CLogS | -7.031 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.35 |
| Relative PSA | 0.17814 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.0605 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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