3-hydroxy-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C21H21N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C21H21N3O3 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1ccc(N2CCCCC2)o1)=O |
| InChI | InChI=1S/C21H21N3O3/c25-19-13-16-7-3-2-6-15(16)12-18(19)21(26)23-22-14-17-8-9-20(27-17)24-10-4-1-5-11-24/h2-3,6-9,12-14,25H,1,4-5,10-11H2,(H,23,26) |
| InChIK | VJLUIVAKLKSPGO-UHFFFAOYSA-N |
| TotalMolweight | 363.416 |
| Molweight | 363.416 |
| MonoisotopicMass | 363.158292 |
| CLogP | 4.4234 |
| CLogS | -6.23 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.23 |
| Relative PSA | 0.23574 |
| PolarSurfaceArea | 78.07 |
| Druglikeness | 6.2054 |
| Mutagenic | high |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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