2-[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
Formula:C14H11N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C14H11N2O4S |
| Smiles | [O-]C(COc1ccc(/C=N\NC(c2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C14H12N2O4S/c17-13(18)9-20-11-5-3-10(4-6-11)8-15-16-14(19)12-2-1-7-21-12/h1-8H,9H2,(H,16,19)(H,17,18)/p-1 |
| InChIK | OQANEXSYWCXSJI-UHFFFAOYSA-M |
| TotalMolweight | 303.317 |
| Molweight | 303.317 |
| MonoisotopicMass | 303.043953 |
| CLogP | 0.0522 |
| CLogS | -3.524 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 231.97 |
| Relative PSA | 0.40389 |
| PolarSurfaceArea | 119.06 |
| Druglikeness | 6.1456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
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