N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]-5-bromofuran-2-carboxamide
Formula:C13H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]-5-bromofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]-5-bromofuran-2-carboxamide |
| MolecularFormula | C13H15N2O2Br |
| Smiles | O=C(c(o1)ccc1Br)N/N=C\C1C(CC2)CC2C1 |
| InChI | InChI=1S/C13H15BrN2O2/c14-12-4-3-11(18-12)13(17)16-15-7-10-6-8-1-2-9(10)5-8/h3-4,7-10H,1-2,5-6H2,(H,16,17) |
| InChIK | PUEFWQHWNZYJCA-UHFFFAOYSA-N |
| TotalMolweight | 311.178 |
| Molweight | 311.178 |
| MonoisotopicMass | 310.031689 |
| CLogP | 2.7057 |
| CLogS | -4.214 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.09 |
| Relative PSA | 0.24924 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 1.7044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]-5-bromofuran-2-carboxamide | 2 - N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]-5-bromofuran-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off