N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C16H11N3O2BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C16H11N3O2BrI |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(o1)cc(Br)c1I |
| InChI | InChI=1S/C16H11BrIN3O2/c17-13-9-11(23-15(13)18)10-19-20-16(22)12-5-1-2-6-14(12)21-7-3-4-8-21/h1-10H,(H,20,22) |
| InChIK | PWRHYIGRYPMTCN-UHFFFAOYSA-N |
| TotalMolweight | 484.086 |
| Molweight | 484.086 |
| MonoisotopicMass | 482.907936 |
| CLogP | 3.8349 |
| CLogS | -7.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.55 |
| Relative PSA | 0.21065 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 0.14737 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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