5-bromo-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-carboxamide
Formula:C12H10N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C12H10N3O3Br |
| Smiles | N/C(/c(cc1)ccc1NC(c(o1)ccc1Br)=O)=N/O |
| InChI | InChI=1S/C12H10BrN3O3/c13-10-6-5-9(19-10)12(17)15-8-3-1-7(2-4-8)11(14)16-18/h1-6,18H,(H2,14,16)(H,15,17) |
| InChIK | HJUDSHUPJMTEHK-UHFFFAOYSA-N |
| TotalMolweight | 324.133 |
| Molweight | 324.133 |
| MonoisotopicMass | 322.990553 |
| CLogP | 2.5271 |
| CLogS | -3.871 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 208.39 |
| Relative PSA | 0.37665 |
| PolarSurfaceArea | 100.85 |
| Druglikeness | -0.67892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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