N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenoxyacetamide
Formula:C21H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C21H17N3O5 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(Oc2ccccc2)Oc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N3O5/c25-20(23-22-15-16-8-7-9-17(14-16)24(26)27)21(28-18-10-3-1-4-11-18)29-19-12-5-2-6-13-19/h1-15,21H,(H,23,25) |
| InChIK | JJOXIQMCZSAHTB-UHFFFAOYSA-N |
| TotalMolweight | 391.382 |
| Molweight | 391.382 |
| MonoisotopicMass | 391.116822 |
| CLogP | 3.0926 |
| CLogS | -5.232 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 302.92 |
| Relative PSA | 0.28532 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -0.58769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| AcidicOxygens | 1 |
| StereoCon |
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