3-hydroxy-4-iodo-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
Formula:C18H18N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-4-iodo-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-4-iodo-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H18N3O2I |
| Smiles | Oc(cc(cc1)C(N/N=C\c(cc2)ccc2N2CCCC2)=O)c1I |
| InChI | InChI=1S/C18H18IN3O2/c19-16-8-5-14(11-17(16)23)18(24)21-20-12-13-3-6-15(7-4-13)22-9-1-2-10-22/h3-8,11-12,23H,1-2,9-10H2,(H,21,24) |
| InChIK | RKVLBEQIMKMEJA-UHFFFAOYSA-N |
| TotalMolweight | 435.26 |
| Molweight | 435.26 |
| MonoisotopicMass | 435.044375 |
| CLogP | 3.784 |
| CLogS | -5.163 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.46 |
| Relative PSA | 0.19399 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 6.2168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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