2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoacetyl]amino]acetate
Formula:C11H10N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoacetyl]amino]acetate is a drug-like molecule.
| MolName | 2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoacetyl]amino]acetate |
| MolecularFormula | C11H10N3O4 |
| Smiles | [O-]C(CNC(C(N/N=C\c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C11H11N3O4/c15-9(16)7-12-10(17)11(18)14-13-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,17)(H,14,18)(H,15,16)/p-1 |
| InChIK | DBMYUDBHVGYZPH-UHFFFAOYSA-M |
| TotalMolweight | 248.217 |
| Molweight | 248.217 |
| MonoisotopicMass | 248.067132 |
| CLogP | -2.5108 |
| CLogS | -1.793 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 195.48 |
| Relative PSA | 0.4493 |
| PolarSurfaceArea | 110.69 |
| Druglikeness | 1.8 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoacetyl]amino]acetate | 2 - 2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoacetyl]amino]acetate
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