N-[(Z)-pyridin-2-ylmethylideneamino]cyclohexanecarboxamide
Formula:C13H17N3O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C13H17N3O |
| Smiles | O=C(C1CCCCC1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C13H17N3O/c17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12/h4-5,8-11H,1-3,6-7H2,(H,16,17) |
| InChIK | JMVVLVMHAFODGN-UHFFFAOYSA-N |
| TotalMolweight | 231.298 |
| Molweight | 231.298 |
| MonoisotopicMass | 231.137162 |
| CLogP | 2.155 |
| CLogS | -3.106 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.79 |
| Relative PSA | 0.24243 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 0.1693 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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