N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-iodophenoxy)acetamide
Formula:C24H20N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-iodophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-iodophenoxy)acetamide |
| MolecularFormula | C24H20N3O2I |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H20IN3O2/c25-20-10-12-21(13-11-20)30-17-24(29)27-26-14-19-16-28(15-18-6-2-1-3-7-18)23-9-5-4-8-22(19)23/h1-14,16H,15,17H2,(H,27,29) |
| InChIK | OAERDQXWSVRIFY-UHFFFAOYSA-N |
| TotalMolweight | 509.342 |
| Molweight | 509.342 |
| MonoisotopicMass | 509.060025 |
| CLogP | 4.7433 |
| CLogS | -5.495 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.35 |
| Relative PSA | 0.15816 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 6.3267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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