N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylmethoxybenzamide
Formula:C21H17N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylmethoxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylmethoxybenzamide |
| MolecularFormula | C21H17N2O2I |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C21H17IN2O2/c22-18-10-6-9-17(13-18)14-23-24-21(25)19-11-4-5-12-20(19)26-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25) |
| InChIK | PEZIYVCXQLYWQG-UHFFFAOYSA-N |
| TotalMolweight | 456.278 |
| Molweight | 456.278 |
| MonoisotopicMass | 456.033476 |
| CLogP | 4.9868 |
| CLogS | -6.078 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.79 |
| Relative PSA | 0.15503 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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