N-[(E)-benzylideneamino]-5-bromopyridine-3-carboxamide
Formula:C13H10N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-benzylideneamino]-5-bromopyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-benzylideneamino]-5-bromopyridine-3-carboxamide |
| MolecularFormula | C13H10N3OBr |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c1ccccc1 |
| InChI | InChI=1S/C13H10BrN3O/c14-12-6-11(8-15-9-12)13(18)17-16-7-10-4-2-1-3-5-10/h1-9H,(H,17,18) |
| InChIK | QPOJFQGFXWNEPX-UHFFFAOYSA-N |
| TotalMolweight | 304.146 |
| Molweight | 304.146 |
| MonoisotopicMass | 303.000723 |
| CLogP | 2.9259 |
| CLogS | -3.76 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 204.38 |
| Relative PSA | 0.22987 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6787 |
| 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 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-benzylideneamino]-5-bromopyridine-3-carboxamide | 2 - N-[(E)-benzylideneamino]-5-bromopyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off