2-naphthalen-1-yl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C23H23N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H23N3O |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C23H23N3O/c27-23(16-20-8-5-7-19-6-1-2-9-22(19)20)25-24-17-18-10-12-21(13-11-18)26-14-3-4-15-26/h1-2,5-13,17H,3-4,14-16H2,(H,25,27) |
| InChIK | MCHBKSULUKMFMK-UHFFFAOYSA-N |
| TotalMolweight | 357.456 |
| Molweight | 357.456 |
| MonoisotopicMass | 357.184112 |
| CLogP | 4.8851 |
| CLogS | -6.014 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.19 |
| Relative PSA | 0.13775 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 5.9186 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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