[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
Formula:C17H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C17H12N4O3S |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c2nccnc2)=O)cc1 |
| InChI | InChI=1S/C17H12N4O3S/c22-16(14-11-18-7-8-19-14)21-20-10-12-3-5-13(6-4-12)24-17(23)15-2-1-9-25-15/h1-11H,(H,21,22) |
| InChIK | GOWIOEFDCBLWQU-UHFFFAOYSA-N |
| TotalMolweight | 352.373 |
| Molweight | 352.373 |
| MonoisotopicMass | 352.063011 |
| CLogP | 2.5509 |
| CLogS | -3.635 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 267.96 |
| Relative PSA | 0.37823 |
| PolarSurfaceArea | 121.78 |
| Druglikeness | 5.9413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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