4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoate
Formula:C13H9N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C13H9N2O3S |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C13H10N2O3S/c16-12(11-2-1-7-19-11)15-14-8-9-3-5-10(6-4-9)13(17)18/h1-8H,(H,15,16)(H,17,18)/p-1 |
| InChIK | LJIWRKOXCXBRLS-UHFFFAOYSA-M |
| TotalMolweight | 273.291 |
| Molweight | 273.291 |
| MonoisotopicMass | 273.033388 |
| CLogP | 0.4773 |
| CLogS | -3.744 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 208.21 |
| Relative PSA | 0.40195 |
| PolarSurfaceArea | 109.83 |
| Druglikeness | 6.2227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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