N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]naphthalene-1-carboxamide
Formula:C18H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C18H18N2O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C1/C(CC2)CC2C1 |
| InChI | InChI=1S/C18H18N2O/c21-18(20-19-17-11-12-8-9-14(17)10-12)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H,20,21) |
| InChIK | IJGZLDUTGFFGHH-UHFFFAOYSA-N |
| TotalMolweight | 278.354 |
| Molweight | 278.354 |
| MonoisotopicMass | 278.141913 |
| CLogP | 4.0501 |
| CLogS | -5.325 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.08 |
| Relative PSA | 0.169 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6249 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| StereoCon | unknown chirality |
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