| MolName | [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate |
| MolecularFormula | C17H15N3O7 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(COC(COc1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C17H15N3O7/c21-15(10-27-16(22)11-26-14-4-2-1-3-5-14)18-19-17(23)12-6-8-13(9-7-12)20(24)25/h1-9H,10-11H2,(H,18,21)(H,19,23) |
| InChIK | SLSBDGVMDIUJBI-UHFFFAOYSA-N |
| TotalMolweight | 373.32 |
| Molweight | 373.32 |
| MonoisotopicMass | 373.091002 |
| CLogP | -0.1712 |
| CLogS | -3.453 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 280.38 |
| Relative PSA | 0.4011 |
| PolarSurfaceArea | 139.55 |
| Druglikeness | -2.2466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate | 2 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenoxyacetate