[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H16N2O3S |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1cccc(OC(c2cccs2)=O)c1 |
| InChI | InChI=1S/C20H16N2O3S/c23-19(13-15-6-2-1-3-7-15)22-21-14-16-8-4-9-17(12-16)25-20(24)18-10-5-11-26-18/h1-12,14H,13H2,(H,22,23) |
| InChIK | FUENQDVUFREJFC-UHFFFAOYSA-N |
| TotalMolweight | 364.424 |
| Molweight | 364.424 |
| MonoisotopicMass | 364.088163 |
| CLogP | 4.4968 |
| CLogS | -5.166 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.2 |
| Relative PSA | 0.27942 |
| PolarSurfaceArea | 96 |
| Druglikeness | 5.9955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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