2-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N4O4Cl |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2cccnc2Cl)=O)o1)=O |
| InChI | InChI=1S/C17H11ClN4O4/c18-16-14(2-1-9-19-16)17(23)21-20-10-13-7-8-15(26-13)11-3-5-12(6-4-11)22(24)25/h1-10H,(H,21,23) |
| InChIK | NILUJXWBAFVNBF-UHFFFAOYSA-N |
| TotalMolweight | 370.751 |
| Molweight | 370.751 |
| MonoisotopicMass | 370.046883 |
| CLogP | 2.9214 |
| CLogS | -5.345 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 274.29 |
| Relative PSA | 0.33362 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | 1.4137 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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