N-[(Z)-(2-iodophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
Formula:C26H18N3O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide |
| MolecularFormula | C26H18N3O2I |
| Smiles | O=C(c1ccc(CN(c2cccc3cccc4c23)C4=O)cc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C26H18IN3O2/c27-22-9-2-1-5-20(22)15-28-29-25(31)19-13-11-17(12-14-19)16-30-23-10-4-7-18-6-3-8-21(24(18)23)26(30)32/h1-15H,16H2,(H,29,31) |
| InChIK | JATXNMPMYPRKLO-UHFFFAOYSA-N |
| TotalMolweight | 531.348 |
| Molweight | 531.348 |
| MonoisotopicMass | 531.044375 |
| CLogP | 5.7299 |
| CLogS | -8.068 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.94 |
| Relative PSA | 0.15658 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.7816 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2-iodophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide | 2 - N-[(Z)-(2-iodophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
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