N-[(Z)-(2-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
Formula:C14H10N2O2BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide |
| MolecularFormula | C14H10N2O2BrI |
| Smiles | Oc(ccc(I)c1)c1C(N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C14H10BrIN2O2/c15-12-4-2-1-3-9(12)8-17-18-14(20)11-7-10(16)5-6-13(11)19/h1-8,19H,(H,18,20) |
| InChIK | VRIVDSRQBVHYLP-UHFFFAOYSA-N |
| TotalMolweight | 445.049 |
| Molweight | 445.049 |
| MonoisotopicMass | 443.897037 |
| CLogP | 4.0182 |
| CLogS | -5.275 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 238.25 |
| Relative PSA | 0.20613 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.0684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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