(2Z)-2-(furan-2-carbonylhydrazinylidene)acetate
Formula:C7H5N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(furan-2-carbonylhydrazinylidene)acetate is a drug-like molecule.
| MolName | (2Z)-2-(furan-2-carbonylhydrazinylidene)acetate |
| MolecularFormula | C7H5N2O4 |
| Smiles | [O-]C(/C=N\NC(c1ccco1)=O)=O |
| InChI | InChI=1S/C7H6N2O4/c10-6(11)4-8-9-7(12)5-2-1-3-13-5/h1-4H,(H,9,12)(H,10,11)/p-1 |
| InChIK | VNCFCVZLEDRNPK-UHFFFAOYSA-M |
| TotalMolweight | 181.127 |
| Molweight | 181.127 |
| MonoisotopicMass | 181.024933 |
| CLogP | -2.7167 |
| CLogS | -1.63 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 142.2 |
| Relative PSA | 0.54459 |
| 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 | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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