N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide
Formula:C16H15N3OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C16H15N3OBr |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C16H14BrN3O/c17-15(11-14-7-3-1-4-8-14)12-18-19-16(21)13-20-9-5-2-6-10-20/h1-12H,13H2/p+1 |
| InChIK | UFIZHSGXSLWRAK-UHFFFAOYSA-O |
| TotalMolweight | 345.219 |
| Molweight | 345.219 |
| MonoisotopicMass | 344.039848 |
| CLogP | -1.6174 |
| CLogS | -3.181 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.39 |
| Relative PSA | 0.16061 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | -1.0402 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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