3,5-dinitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide
Formula:C19H19N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dinitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide is not a drug-like molecule.
| MolName | 3,5-dinitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide |
| MolecularFormula | C19H19N5O6 |
| Smiles | [O-][N+](c1cc(C(NNc(cc2)ccc2C(N2CCCCC2)=O)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C19H19N5O6/c25-18(14-10-16(23(27)28)12-17(11-14)24(29)30)21-20-15-6-4-13(5-7-15)19(26)22-8-2-1-3-9-22/h4-7,10-12,20H,1-3,8-9H2,(H,21,25) |
| InChIK | FESJDGLWBOPXHQ-UHFFFAOYSA-N |
| TotalMolweight | 413.389 |
| Molweight | 413.389 |
| MonoisotopicMass | 413.133535 |
| CLogP | 2.252 |
| CLogS | -4.257 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 304.38 |
| Relative PSA | 0.37253 |
| PolarSurfaceArea | 153.08 |
| Druglikeness | -2.319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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