3-hydroxy-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
Formula:C19H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C19H21N3O2 |
| Smiles | Oc1cccc(C(N/N=C\c(cc2)ccc2N2CCCCC2)=O)c1 |
| InChI | InChI=1S/C19H21N3O2/c23-18-6-4-5-16(13-18)19(24)21-20-14-15-7-9-17(10-8-15)22-11-2-1-3-12-22/h4-10,13-14,23H,1-3,11-12H2,(H,21,24) |
| InChIK | RYKBXESADQKCQJ-UHFFFAOYSA-N |
| TotalMolweight | 323.395 |
| Molweight | 323.395 |
| MonoisotopicMass | 323.163377 |
| CLogP | 3.6889 |
| CLogS | -4.417 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.94 |
| Relative PSA | 0.20337 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 4.3703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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