N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
Formula:C14H11N4OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide |
| MolecularFormula | C14H11N4OBr |
| Smiles | O=C(c1nccnc1)N/N=C/C(/Br)=C/c1ccccc1 |
| InChI | InChI=1S/C14H11BrN4O/c15-12(8-11-4-2-1-3-5-11)9-18-19-14(20)13-10-16-6-7-17-13/h1-10H,(H,19,20) |
| InChIK | VZQQEUNBFBIFGK-UHFFFAOYSA-N |
| TotalMolweight | 331.172 |
| Molweight | 331.172 |
| MonoisotopicMass | 330.011622 |
| CLogP | 1.8647 |
| CLogS | -3.28 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.85 |
| Relative PSA | 0.25433 |
| PolarSurfaceArea | 67.24 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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