N-[(Z)-naphthalen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C19H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C19H20N2O |
| Smiles | O=C(C1C2C1CCCC2)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H20N2O/c22-19(18-16-7-3-4-8-17(16)18)21-20-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-2,5-6,9-12,16-18H,3-4,7-8H2,(H,21,22) |
| InChIK | PEJCEQQOXZKVLJ-UHFFFAOYSA-N |
| TotalMolweight | 292.381 |
| Molweight | 292.381 |
| MonoisotopicMass | 292.157563 |
| CLogP | 4.1997 |
| CLogS | -5.619 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.37 |
| Relative PSA | 0.15838 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.18405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-naphthalen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[(Z)-naphthalen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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