N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C15H11N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C15H11N3O4Cl2 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(c(Cl)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C15H11Cl2N3O4/c16-11-4-3-5-12(17)10(11)8-18-19-15(21)9-24-14-7-2-1-6-13(14)20(22)23/h1-8H,9H2,(H,19,21) |
| InChIK | IKLDDTGJMWUGGG-UHFFFAOYSA-N |
| TotalMolweight | 368.175 |
| Molweight | 368.175 |
| MonoisotopicMass | 367.012661 |
| CLogP | 3.0669 |
| CLogS | -5.433 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 265.26 |
| Relative PSA | 0.28813 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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