3-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide
Formula:C14H10N2OBrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N2OBrI |
| Smiles | O=C(c1cc(Br)ccc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C14H10BrIN2O/c15-12-6-3-5-10(8-12)14(19)18-17-9-11-4-1-2-7-13(11)16/h1-9H,(H,18,19) |
| InChIK | SUXQRAKOYBLRMR-UHFFFAOYSA-N |
| TotalMolweight | 429.05 |
| Molweight | 429.05 |
| MonoisotopicMass | 427.902122 |
| CLogP | 4.3639 |
| CLogS | -5.571 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.9 |
| Relative PSA | 0.15528 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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