N-cycloheptyl-N'-[(Z)-pyridin-2-ylmethylideneamino]oxamide
Formula:C15H20N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-cycloheptyl-N'-[(Z)-pyridin-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-cycloheptyl-N'-[(Z)-pyridin-2-ylmethylideneamino]oxamide |
| MolecularFormula | C15H20N4O2 |
| Smiles | O=C(C(N/N=C\c1ncccc1)=O)NC1CCCCCC1 |
| InChI | InChI=1S/C15H20N4O2/c20-14(18-12-7-3-1-2-4-8-12)15(21)19-17-11-13-9-5-6-10-16-13/h5-6,9-12H,1-4,7-8H2,(H,18,20)(H,19,21) |
| InChIK | UWNNBVCSBYPQSD-UHFFFAOYSA-N |
| TotalMolweight | 288.35 |
| Molweight | 288.35 |
| MonoisotopicMass | 288.158626 |
| CLogP | 1.386 |
| CLogS | -3.091 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 236.76 |
| Relative PSA | 0.30191 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -0.55167 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| 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 | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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