4-nitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide is a drug-like molecule.
| MolName | 4-nitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNc(cc1)ccc1C(N1CCCCC1)=O)=O)=O |
| InChI | InChI=1S/C19H20N4O4/c24-18(14-6-10-17(11-7-14)23(26)27)21-20-16-8-4-15(5-9-16)19(25)22-12-2-1-3-13-22/h4-11,20H,1-3,12-13H2,(H,21,24) |
| InChIK | LYTDYEYGPHENOG-UHFFFAOYSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 3.1736 |
| CLogS | -3.797 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.71 |
| Relative PSA | 0.29557 |
| PolarSurfaceArea | 107.26 |
| Druglikeness | -2.319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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