N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylacetamide
Formula:C16H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C16H20N2O |
| Smiles | O=C(Cc1ccccc1)N/N=C\[C@@H]1[C@@H](CC2)C[C@@H]2C1 |
| InChI | InChI=1S/C16H20N2O/c19-16(10-12-4-2-1-3-5-12)18-17-11-15-9-13-6-7-14(15)8-13/h1-5,11,13-15H,6-10H2,(H,18,19)/t13-,14+,15-/m1/s1 |
| InChIK | ILMWOYQXYMVDBH-QLFBSQMISA-N |
| TotalMolweight | 256.348 |
| Molweight | 256.348 |
| MonoisotopicMass | 256.157563 |
| CLogP | 2.6925 |
| CLogS | -3.9 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.53 |
| Relative PSA | 0.17436 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.8956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylacetamide
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