4-[[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
Formula:C20H15N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C20H15N2O4S |
| Smiles | [O-]C(c1ccc(COc2ccc(/C=N\NC(c3cccs3)=O)cc2)cc1)=O |
| InChI | InChI=1S/C20H16N2O4S/c23-19(18-2-1-11-27-18)22-21-12-14-5-9-17(10-6-14)26-13-15-3-7-16(8-4-15)20(24)25/h1-12H,13H2,(H,22,23)(H,24,25)/p-1 |
| InChIK | XOTMLGSWCASFRA-UHFFFAOYSA-M |
| TotalMolweight | 379.415 |
| Molweight | 379.415 |
| MonoisotopicMass | 379.075253 |
| CLogP | 1.8254 |
| CLogS | -5.085 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.73 |
| Relative PSA | 0.32115 |
| PolarSurfaceArea | 119.06 |
| Druglikeness | 5.9885 |
| 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 | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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