N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H12N3O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H12N3O2I |
| Smiles | O=C(c1cnccc1)N/N=C\c1ccc(-c(cc2)ccc2I)o1 |
| InChI | InChI=1S/C17H12IN3O2/c18-14-5-3-12(4-6-14)16-8-7-15(23-16)11-20-21-17(22)13-2-1-9-19-10-13/h1-11H,(H,21,22) |
| InChIK | IVYPSCOAPMPHPC-UHFFFAOYSA-N |
| TotalMolweight | 417.201 |
| Molweight | 417.201 |
| MonoisotopicMass | 416.997425 |
| CLogP | 3.5767 |
| CLogS | -5.402 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.48 |
| Relative PSA | 0.23363 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 6.8505 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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