N'-(4-nitrobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
Formula:C19H20N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-nitrobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide is a drug-like molecule.
| MolName | N'-(4-nitrobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide |
| MolecularFormula | C19H20N4O6S |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(c1cccc(S(N2CCCCC2)(=O)=O)c1)=O)=O)=O |
| InChI | InChI=1S/C19H20N4O6S/c24-18(14-7-9-16(10-8-14)23(26)27)20-21-19(25)15-5-4-6-17(13-15)30(28,29)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,20,24)(H,21,25) |
| InChIK | JQUJMCIANXIBRG-UHFFFAOYSA-N |
| TotalMolweight | 432.456 |
| Molweight | 432.456 |
| MonoisotopicMass | 432.110356 |
| CLogP | 0.9028 |
| CLogS | -3.865 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 309.29 |
| Relative PSA | 0.36066 |
| PolarSurfaceArea | 149.78 |
| Druglikeness | -14.918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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