4-(2-amino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C16H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2-amino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(2-amino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C16H14N4O5 |
| Smiles | NC(COc(cc1)ccc1C(N/N=C\c(cc1)ccc1[N+]([O-])=O)=O)=O |
| InChI | InChI=1S/C16H14N4O5/c17-15(21)10-25-14-7-3-12(4-8-14)16(22)19-18-9-11-1-5-13(6-2-11)20(23)24/h1-9H,10H2,(H2,17,21)(H,19,22) |
| InChIK | LZPVBEGOUAZPKY-UHFFFAOYSA-N |
| TotalMolweight | 342.31 |
| Molweight | 342.31 |
| MonoisotopicMass | 342.096421 |
| CLogP | 0.9422 |
| CLogS | -4.05 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 260.69 |
| Relative PSA | 0.40178 |
| PolarSurfaceArea | 139.6 |
| Druglikeness | -0.55587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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