N-[(Z)-(4-iodophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C22H16N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-iodophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-iodophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C22H16N3O2I |
| Smiles | O=C(CN(c1c2cccc1)c(cccc1)c1C2=O)N/N=C\c(cc1)ccc1I |
| InChI | InChI=1S/C22H16IN3O2/c23-16-11-9-15(10-12-16)13-24-25-21(27)14-26-19-7-3-1-5-17(19)22(28)18-6-2-4-8-20(18)26/h1-13H,14H2,(H,25,27) |
| InChIK | ZMKMJGQEMXTMII-UHFFFAOYSA-N |
| TotalMolweight | 481.288 |
| Molweight | 481.288 |
| MonoisotopicMass | 481.028725 |
| CLogP | 4.745 |
| CLogS | -7.569 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.34 |
| Relative PSA | 0.17455 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.6506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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