2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]acetate
Formula:C10H10N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C10H10N3O4 |
| Smiles | NC(N/N=C\c(cc1)ccc1OCC([O-])=O)=O |
| InChI | InChI=1S/C10H11N3O4/c11-10(16)13-12-5-7-1-3-8(4-2-7)17-6-9(14)15/h1-5H,6H2,(H,14,15)(H3,11,13,16)/p-1 |
| InChIK | WCTGIULEVDFQSG-UHFFFAOYSA-M |
| TotalMolweight | 236.206 |
| Molweight | 236.206 |
| MonoisotopicMass | 236.067132 |
| CLogP | -1.8807 |
| CLogS | -2.607 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 184.79 |
| Relative PSA | 0.47946 |
| PolarSurfaceArea | 116.84 |
| Druglikeness | 4.1845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenoxy]acetate
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