N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexyloxamide
Formula:C16H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexyloxamide |
| MolecularFormula | C16H19N3O4 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)NC1CCCCC1 |
| InChI | InChI=1S/C16H19N3O4/c20-15(18-12-4-2-1-3-5-12)16(21)19-17-9-11-6-7-13-14(8-11)23-10-22-13/h6-9,12H,1-5,10H2,(H,18,20)(H,19,21) |
| InChIK | HIXHFMMFKKWWFU-UHFFFAOYSA-N |
| TotalMolweight | 317.344 |
| Molweight | 317.344 |
| MonoisotopicMass | 317.137557 |
| CLogP | 2.1023 |
| CLogS | -4.303 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 244.5 |
| Relative PSA | 0.32928 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -0.6869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexyloxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexyloxamide
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