2-(2-chlorophenoxy)-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
Formula:C21H15N4O7Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenoxy)-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2-chlorophenoxy)-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C21H15N4O7Cl |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=N\NC(COc(cccc2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H15ClN4O7/c22-17-6-1-2-7-19(17)32-13-21(27)24-23-12-14-4-3-5-16(10-14)33-20-9-8-15(25(28)29)11-18(20)26(30)31/h1-12H,13H2,(H,24,27) |
| InChIK | IUBNQEORAXAJHD-UHFFFAOYSA-N |
| TotalMolweight | 470.824 |
| Molweight | 470.824 |
| MonoisotopicMass | 470.062928 |
| CLogP | 2.9349 |
| CLogS | -7.454 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 343.27 |
| Relative PSA | 0.3404 |
| PolarSurfaceArea | 151.56 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
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