N-cyclohexyl-N'-[(Z)-(4-iodophenyl)methylideneamino]oxamide
Formula:C15H18N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-(4-iodophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-(4-iodophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H18N3O2I |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1I)=O)NC1CCCCC1 |
| InChI | InChI=1S/C15H18IN3O2/c16-12-8-6-11(7-9-12)10-17-19-15(21)14(20)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,18,20)(H,19,21) |
| InChIK | GYUUFVZPMBCUNS-UHFFFAOYSA-N |
| TotalMolweight | 399.227 |
| Molweight | 399.227 |
| MonoisotopicMass | 399.044375 |
| CLogP | 2.428 |
| CLogS | -4.608 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.52 |
| Relative PSA | 0.24154 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -0.2115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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