N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-2-carboxamide
Formula:C17H13N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H13N5O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(c2ncccc2)=O)ccc1)=O |
| InChI | InChI=1S/C17H13N5O3/c23-17(16-5-1-2-10-18-16)20-19-12-15-4-3-11-21(15)13-6-8-14(9-7-13)22(24)25/h1-12H,(H,20,23) |
| InChIK | UUVVLTILJZHFIJ-UHFFFAOYSA-N |
| TotalMolweight | 335.322 |
| Molweight | 335.322 |
| MonoisotopicMass | 335.10184 |
| CLogP | 1.572 |
| CLogS | -5.747 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 258.38 |
| Relative PSA | 0.32615 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 0.33254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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