N-[(Z)-[(E)-3-phenylbut-2-enylidene]amino]pyrazine-2-carboxamide
Formula:C15H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylbut-2-enylidene]amino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylbut-2-enylidene]amino]pyrazine-2-carboxamide |
| MolecularFormula | C15H14N4O |
| Smiles | C/C(/c1ccccc1)=C\C=N/NC(c1nccnc1)=O |
| InChI | InChI=1S/C15H14N4O/c1-12(13-5-3-2-4-6-13)7-8-18-19-15(20)14-11-16-9-10-17-14/h2-11H,1H3,(H,19,20) |
| InChIK | CPVPIZAGTLLWHC-UHFFFAOYSA-N |
| TotalMolweight | 266.303 |
| Molweight | 266.303 |
| MonoisotopicMass | 266.116761 |
| CLogP | 1.4925 |
| CLogS | -2.176 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.48 |
| Relative PSA | 0.26165 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.1863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylbut-2-enylidene]amino]pyrazine-2-carboxamide | 2 - N-[(Z)-[(E)-3-phenylbut-2-enylidene]amino]pyrazine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off