N-[(E)-2-bicyclo[2.2.1]heptanylmethylideneamino]-3-bromobenzamide
Formula:C15H17N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylmethylideneamino]-3-bromobenzamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylmethylideneamino]-3-bromobenzamide |
| MolecularFormula | C15H17N2OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C/C1C(CC2)CC2C1 |
| InChI | InChI=1S/C15H17BrN2O/c16-14-3-1-2-12(8-14)15(19)18-17-9-13-7-10-4-5-11(13)6-10/h1-3,8-11,13H,4-7H2,(H,18,19) |
| InChIK | UBEXTSHPEBUROO-UHFFFAOYSA-N |
| TotalMolweight | 321.217 |
| Molweight | 321.217 |
| MonoisotopicMass | 320.052424 |
| CLogP | 3.4196 |
| CLogS | -4.769 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 211.4 |
| Relative PSA | 0.17034 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.0545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-2-bicyclo[2.2.1]heptanylmethylideneamino]-3-bromobenzamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylmethylideneamino]-3-bromobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off