2-anilino-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
Formula:C21H17N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C21H17N5O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=N\NC(CNc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N5O6/c27-21(14-22-16-6-2-1-3-7-16)24-23-13-15-5-4-8-18(11-15)32-20-10-9-17(25(28)29)12-19(20)26(30)31/h1-13,22H,14H2,(H,24,27) |
| InChIK | XCMXOQTUPZUKQK-UHFFFAOYSA-N |
| TotalMolweight | 435.395 |
| Molweight | 435.395 |
| MonoisotopicMass | 435.117885 |
| CLogP | 2.0459 |
| CLogS | -6.76 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 329.31 |
| Relative PSA | 0.35927 |
| PolarSurfaceArea | 154.36 |
| Druglikeness | -0.20877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
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