6-chloro-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboximidamide
Formula:C14H12N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboximidamide is a drug-like molecule.
| MolName | 6-chloro-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboximidamide |
| MolecularFormula | C14H12N5Cl |
| Smiles | N/C(/c1cncc(Cl)n1)=N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C14H12ClN5/c15-13-10-17-9-12(19-13)14(16)20-18-8-4-7-11-5-2-1-3-6-11/h1-10H,(H2,16,20) |
| InChIK | IIEKYIRQHHRQTH-UHFFFAOYSA-N |
| TotalMolweight | 285.737 |
| Molweight | 285.737 |
| MonoisotopicMass | 285.078122 |
| CLogP | 2.7135 |
| CLogS | -3.122 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.71 |
| Relative PSA | 0.26335 |
| PolarSurfaceArea | 76.52 |
| Druglikeness | 1.5775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; 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 |
| BasicNitrogens | 1 |
| StereoCon |
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