N-[(Z)-(3-iodophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C20H13N2O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C20H13N2O2I |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C20H13IN2O2/c21-15-6-3-4-13(10-15)12-22-23-20(24)19-11-17-16-7-2-1-5-14(16)8-9-18(17)25-19/h1-12H,(H,23,24) |
| InChIK | DMIODNQREFDGEM-UHFFFAOYSA-N |
| TotalMolweight | 440.235 |
| Molweight | 440.235 |
| MonoisotopicMass | 440.002176 |
| CLogP | 5.3387 |
| CLogS | -7.526 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.16 |
| Relative PSA | 0.18416 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.113 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-iodophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide | 2 - N-[(Z)-(3-iodophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off