N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
Formula:C12H10N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide |
| MolecularFormula | C12H10N4O2 |
| Smiles | O=C(c1nccnc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C12H10N4O2/c17-12(11-9-13-6-7-14-11)16-15-5-1-3-10-4-2-8-18-10/h1-9H,(H,16,17) |
| InChIK | LYJQREZLYZWSAY-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 0.4608 |
| CLogS | -2.129 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 200.7 |
| Relative PSA | 0.35904 |
| PolarSurfaceArea | 80.38 |
| Druglikeness | 4.1634 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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