N'-[(Z)-benzylideneamino]-N-cycloheptyloxamide
Formula:C16H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-cycloheptyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-cycloheptyloxamide |
| MolecularFormula | C16H21N3O2 |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)NC1CCCCCC1 |
| InChI | InChI=1S/C16H21N3O2/c20-15(18-14-10-6-1-2-7-11-14)16(21)19-17-12-13-8-4-3-5-9-13/h3-5,8-9,12,14H,1-2,6-7,10-11H2,(H,18,20)(H,19,21) |
| InChIK | ULMDFGVNACOVME-UHFFFAOYSA-N |
| TotalMolweight | 287.362 |
| Molweight | 287.362 |
| MonoisotopicMass | 287.163377 |
| CLogP | 2.3329 |
| CLogS | -3.862 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238 |
| Relative PSA | 0.25424 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -0.55167 |
| Mutagenic | none |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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