4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]benzoate
Formula:C13H9N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C13H9N2O4 |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2ccco2)=O)cc1)=O |
| InChI | InChI=1S/C13H10N2O4/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 | BKADJUPEICAOHX-UHFFFAOYSA-M |
| TotalMolweight | 257.224 |
| Molweight | 257.224 |
| MonoisotopicMass | 257.056233 |
| CLogP | -0.2006 |
| CLogS | -3.416 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.96 |
| Relative PSA | 0.38344 |
| PolarSurfaceArea | 94.73 |
| Druglikeness | 4.4931 |
| 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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1 - 4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]benzoate | 2 - 4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]benzoate
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