3-hydroxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C22H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H21N3O3 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C22H21N3O3/c26-21-14-18-4-2-1-3-17(18)13-20(21)22(27)24-23-15-16-5-7-19(8-6-16)25-9-11-28-12-10-25/h1-8,13-15,26H,9-12H2,(H,24,27) |
| InChIK | BCAKPSMACJGYOT-UHFFFAOYSA-N |
| TotalMolweight | 375.427 |
| Molweight | 375.427 |
| MonoisotopicMass | 375.158292 |
| CLogP | 3.7193 |
| CLogS | -5.134 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.78 |
| Relative PSA | 0.21623 |
| PolarSurfaceArea | 74.16 |
| Druglikeness | 5.0983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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