3-iodo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H14N3O4IS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-iodo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-iodo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N3O4IS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(c2cccc(I)c2)=O)o1)(=O)=O |
| InChI | InChI=1S/C18H14IN3O4S/c19-14-3-1-2-13(10-14)18(23)22-21-11-15-6-9-17(26-15)12-4-7-16(8-5-12)27(20,24)25/h1-11H,(H,22,23)(H2,20,24,25) |
| InChIK | FYQIHQMGOFZGBN-UHFFFAOYSA-N |
| TotalMolweight | 495.292 |
| Molweight | 495.292 |
| MonoisotopicMass | 494.974975 |
| CLogP | 3.3416 |
| CLogS | -6.096 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 299.82 |
| Relative PSA | 0.31342 |
| PolarSurfaceArea | 123.14 |
| Druglikeness | 6.9037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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