N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-iodobenzamide
Formula:C15H11N2O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-iodobenzamide |
| MolecularFormula | C15H11N2O3I |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H11IN2O3/c16-12-4-2-1-3-11(12)15(19)18-17-8-10-5-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19) |
| InChIK | NGGFLAAOCGUYQN-UHFFFAOYSA-N |
| TotalMolweight | 394.163 |
| Molweight | 394.163 |
| MonoisotopicMass | 393.981441 |
| CLogP | 3.7501 |
| CLogS | -5.448 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.53 |
| Relative PSA | 0.23984 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.6849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-iodobenzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-iodobenzamide
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