5-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
Formula:C15H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide |
| MolecularFormula | C15H12N3OBr |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H12BrN3O/c16-14-9-13(10-17-11-14)15(20)19-18-8-4-7-12-5-2-1-3-6-12/h1-11H,(H,19,20) |
| InChIK | ZVVZNZBBRASGSD-UHFFFAOYSA-N |
| TotalMolweight | 330.184 |
| Molweight | 330.184 |
| MonoisotopicMass | 329.016373 |
| CLogP | 2.9442 |
| CLogS | -4.052 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.88 |
| Relative PSA | 0.20348 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide | 2 - 5-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off