[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H15N2O4ClS |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C\c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C20H15ClN2O4S/c21-15-3-1-4-17(11-15)26-13-19(24)23-22-12-14-6-8-16(9-7-14)27-20(25)18-5-2-10-28-18/h1-12H,13H2,(H,23,24) |
| InChIK | FUPOPRSPXJWPRD-UHFFFAOYSA-N |
| TotalMolweight | 414.868 |
| Molweight | 414.868 |
| MonoisotopicMass | 414.044105 |
| CLogP | 4.6796 |
| CLogS | -5.717 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.62 |
| Relative PSA | 0.28877 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.9964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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