N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]pyridine-2-carboxamide
Formula:C19H13N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]pyridine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C19H13N5O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=N\NC(c2ncccc2)=O)ccc1)=O |
| InChI | InChI=1S/C19H13N5O6/c25-19(16-6-1-2-9-20-16)22-21-12-13-4-3-5-15(10-13)30-18-8-7-14(23(26)27)11-17(18)24(28)29/h1-12H,(H,22,25) |
| InChIK | YQFAHWRIRQGXED-UHFFFAOYSA-N |
| TotalMolweight | 407.341 |
| Molweight | 407.341 |
| MonoisotopicMass | 407.086585 |
| CLogP | 1.8071 |
| CLogS | -6.167 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 302.85 |
| Relative PSA | 0.38904 |
| PolarSurfaceArea | 155.22 |
| Druglikeness | -0.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]pyridine-2-carboxamide
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