N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N3O2Cl2 |
| Smiles | O=C(c1cnccc1)NN=Cc1ccc(-c(cc(cc2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H11Cl2N3O2/c18-12-3-5-15(19)14(8-12)16-6-4-13(24-16)10-21-22-17(23)11-2-1-7-20-9-11/h1-10H,(H,22,23) |
| InChIK | NNBXTVXKVWSFJT-UHFFFAOYSA-N |
| TotalMolweight | 360.199 |
| Molweight | 360.199 |
| MonoisotopicMass | 359.022831 |
| CLogP | 4.3516 |
| CLogS | -5.858 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.04 |
| Relative PSA | 0.22963 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 6.4937 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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