4-hydroxy-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide
Formula:C14H11N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(2-iodophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N2O2I |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cccc1)c1I)=O |
| InChI | InChI=1S/C14H11IN2O2/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(18)8-6-10/h1-9,18H,(H,17,19) |
| InChIK | XSGFPTNWXPXNFT-UHFFFAOYSA-N |
| TotalMolweight | 366.153 |
| Molweight | 366.153 |
| MonoisotopicMass | 365.986526 |
| CLogP | 3.293 |
| CLogS | -4.441 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 219.62 |
| Relative PSA | 0.22361 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.8584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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