[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H16N2O4S |
| Smiles | O=C(COc1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C20H16N2O4S/c23-19(14-25-16-5-2-1-3-6-16)22-21-13-15-8-10-17(11-9-15)26-20(24)18-7-4-12-27-18/h1-13H,14H2,(H,22,23) |
| InChIK | QIBUMRNUGFTNQK-UHFFFAOYSA-N |
| TotalMolweight | 380.423 |
| Molweight | 380.423 |
| MonoisotopicMass | 380.083078 |
| CLogP | 4.0736 |
| CLogS | -4.981 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.2 |
| Relative PSA | 0.30391 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.9454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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