4-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C16H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H17N3O3S |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1ccc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C16H17N3O3S/c20-13-3-1-12(2-4-13)16(21)18-17-11-14-5-6-15(23-14)19-7-9-22-10-8-19/h1-6,11,20H,7-10H2,(H,18,21) |
| InChIK | FDBQXWVXOKTNBU-UHFFFAOYSA-N |
| TotalMolweight | 331.395 |
| Molweight | 331.395 |
| MonoisotopicMass | 331.099062 |
| CLogP | 2.5811 |
| CLogS | -3.688 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.12 |
| Relative PSA | 0.3306 |
| PolarSurfaceArea | 102.4 |
| Druglikeness | 6.2856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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