N'-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]oxamide
Formula:C9H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]oxamide |
| MolecularFormula | C9H13N3O2 |
| Smiles | NC(C(N/N=C1\C(CC2)CC2C1)=O)=O |
| InChI | InChI=1S/C9H13N3O2/c10-8(13)9(14)12-11-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2,(H2,10,13)(H,12,14) |
| InChIK | PEFNEHUYFYJDBM-UHFFFAOYSA-N |
| TotalMolweight | 195.221 |
| Molweight | 195.221 |
| MonoisotopicMass | 195.100777 |
| CLogP | -0.2622 |
| CLogS | -2.1 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 144.99 |
| Relative PSA | 0.44362 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 0.55678 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - N'-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]oxamide | 2 - N'-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]oxamide
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