N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C21H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C21H14N4O5 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\NC(c2cc(cccc3)c3o2)=O)cc1)=O |
| InChI | InChI=1S/C21H14N4O5/c26-21(19-11-15-3-1-2-4-18(15)30-19)24-23-12-14-5-8-17(9-6-14)29-20-10-7-16(13-22-20)25(27)28/h1-13H,(H,24,26) |
| InChIK | IMVQOZODUYUIBK-UHFFFAOYSA-N |
| TotalMolweight | 402.365 |
| Molweight | 402.365 |
| MonoisotopicMass | 402.096421 |
| CLogP | 3.5317 |
| CLogS | -7.391 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 303.47 |
| Relative PSA | 0.3345 |
| PolarSurfaceArea | 122.54 |
| Druglikeness | -0.39475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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