3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]propanamide
Formula:C21H24N4O4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]propanamide |
| MolecularFormula | C21H24N4O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CCc(cccc2)c2O)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C21H24N4O4/c26-20-7-3-2-6-16(20)8-11-21(27)23-22-15-17-14-18(25(28)29)9-10-19(17)24-12-4-1-5-13-24/h2-3,6-7,9-10,14-15,26H,1,4-5,8,11-13H2,(H,23,27) |
| InChIK | LEOLSQZLEOLEQJ-UHFFFAOYSA-N |
| TotalMolweight | 396.446 |
| Molweight | 396.446 |
| MonoisotopicMass | 396.179756 |
| CLogP | 3.2198 |
| CLogS | -5.112 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 310.13 |
| Relative PSA | 0.26789 |
| PolarSurfaceArea | 110.75 |
| Druglikeness | -0.81512 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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