N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide
Formula:C15H12N3OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide |
| MolecularFormula | C15H12N3OBr |
| Smiles | O=C(c1ncccc1)N/N=C\C(\Br)=C/c1ccccc1 |
| InChI | InChI=1S/C15H12BrN3O/c16-13(10-12-6-2-1-3-7-12)11-18-19-15(20)14-8-4-5-9-17-14/h1-11H,(H,19,20) |
| InChIK | SMEPYGYOHRXIGF-UHFFFAOYSA-N |
| TotalMolweight | 330.184 |
| Molweight | 330.184 |
| MonoisotopicMass | 329.016373 |
| CLogP | 2.8656 |
| CLogS | -4.075 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.09 |
| Relative PSA | 0.20507 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -0.6995 |
| Mutagenic | high |
| Tumorigenic | low |
| 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 |
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