N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
Formula:C15H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-piperidin-1-ylpropanamide |
| MolecularFormula | C15H20N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCN2CCCCC2)=O)cc1)=O |
| InChI | InChI=1S/C15H20N4O3/c20-15(8-11-18-9-2-1-3-10-18)17-16-12-13-4-6-14(7-5-13)19(21)22/h4-7,12H,1-3,8-11H2,(H,17,20) |
| InChIK | ACXWYQJREGKJIH-UHFFFAOYSA-N |
| TotalMolweight | 304.349 |
| Molweight | 304.349 |
| MonoisotopicMass | 304.153541 |
| CLogP | 0.7906 |
| CLogS | -3.36 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 244.02 |
| Relative PSA | 0.28678 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 0.21498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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