N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide
Formula:C14H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyrazine-2-carboxamide |
| MolecularFormula | C14H12N4O |
| Smiles | O=C(c1nccnc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C14H12N4O/c19-14(13-11-15-9-10-16-13)18-17-8-4-7-12-5-2-1-3-6-12/h1-11H,(H,18,19) |
| InChIK | JCXNBBRWYGKTEL-UHFFFAOYSA-N |
| TotalMolweight | 252.276 |
| Molweight | 252.276 |
| MonoisotopicMass | 252.101111 |
| CLogP | 1.2721 |
| CLogS | -2.447 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.01 |
| Relative PSA | 0.27463 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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