N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-iodoanilino)acetamide
Formula:C16H14N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-iodoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-iodoanilino)acetamide |
| MolecularFormula | C16H14N3O3I |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H14IN3O3/c17-12-2-4-13(5-3-12)18-9-16(21)20-19-8-11-1-6-14-15(7-11)23-10-22-14/h1-8,18H,9-10H2,(H,20,21) |
| InChIK | GPCRIEYHGPHDIK-UHFFFAOYSA-N |
| TotalMolweight | 423.205 |
| Molweight | 423.205 |
| MonoisotopicMass | 423.00799 |
| CLogP | 3.042 |
| CLogS | -5.27 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.75 |
| Relative PSA | 0.26075 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 5.2819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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