[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
Formula:C18H13N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C18H13N3O3S |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c2ccncc2)=O)cc1 |
| InChI | InChI=1S/C18H13N3O3S/c22-17(14-7-9-19-10-8-14)21-20-12-13-3-5-15(6-4-13)24-18(23)16-2-1-11-25-16/h1-12H,(H,21,22) |
| InChIK | MOQKCRZLSRDMBV-UHFFFAOYSA-N |
| TotalMolweight | 351.385 |
| Molweight | 351.385 |
| MonoisotopicMass | 351.067762 |
| CLogP | 3.4978 |
| CLogS | -4.406 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.2 |
| Relative PSA | 0.33574 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 5.9413 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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