3,5-dinitro-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
Formula:C15H20N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dinitro-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide is not a drug-like molecule.
| MolName | 3,5-dinitro-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide |
| MolecularFormula | C15H20N5O6 |
| Smiles | [O-][N+](c1cc(C(NNC(CC[NH+]2CCCCC2)=O)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C15H19N5O6/c21-14(4-7-18-5-2-1-3-6-18)16-17-15(22)11-8-12(19(23)24)10-13(9-11)20(25)26/h8-10H,1-7H2,(H,16,21)(H,17,22)/p+1 |
| InChIK | JOVLPKSOWQSPDH-UHFFFAOYSA-O |
| TotalMolweight | 366.353 |
| Molweight | 366.353 |
| MonoisotopicMass | 366.14136 |
| CLogP | -1.5834 |
| CLogS | -3.409 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 286.18 |
| Relative PSA | 0.44528 |
| PolarSurfaceArea | 154.28 |
| Druglikeness | -6.3715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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