4-hydroxy-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]butanamide
Formula:C16H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]butanamide |
| MolecularFormula | C16H22N4O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CCCO)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C16H22N4O4/c21-10-4-5-16(22)18-17-12-13-11-14(20(23)24)6-7-15(13)19-8-2-1-3-9-19/h6-7,11-12,21H,1-5,8-10H2,(H,18,22) |
| InChIK | UGIWZAMVLLCKEP-UHFFFAOYSA-N |
| TotalMolweight | 334.375 |
| Molweight | 334.375 |
| MonoisotopicMass | 334.164106 |
| CLogP | 1.6513 |
| CLogS | -4.036 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 264.13 |
| Relative PSA | 0.31454 |
| PolarSurfaceArea | 110.75 |
| Druglikeness | -5.3762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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