N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-bromofuran-2-carboxamide
Formula:C12H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-bromofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-bromofuran-2-carboxamide |
| MolecularFormula | C12H13N2O2Br |
| Smiles | O=C(c(o1)ccc1Br)N/N=C1/C(CC2)CC2C1 |
| InChI | InChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)12(16)15-14-9-6-7-1-2-8(9)5-7/h3-4,7-8H,1-2,5-6H2,(H,15,16) |
| InChIK | ROKUKPSEVFONKG-UHFFFAOYSA-N |
| TotalMolweight | 297.151 |
| Molweight | 297.151 |
| MonoisotopicMass | 296.016039 |
| CLogP | 2.867 |
| CLogS | -3.998 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 186.8 |
| Relative PSA | 0.26831 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 0.68381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| StereoCon | unknown chirality |
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1 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-bromofuran-2-carboxamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-bromofuran-2-carboxamide
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