2-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate
Formula:C15H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C15H19N3O3 |
| Smiles | [O-]C(c1c(/C=N\NC(C[NH+]2CCCCC2)=O)cccc1)=O |
| InChI | InChI=1S/C15H19N3O3/c19-14(11-18-8-4-1-5-9-18)17-16-10-12-6-2-3-7-13(12)15(20)21/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)(H,20,21) |
| InChIK | ZDYGFHSBHRVGEA-UHFFFAOYSA-N |
| TotalMolweight | 289.334 |
| Molweight | 289.334 |
| MonoisotopicMass | 289.142642 |
| CLogP | -1.2015 |
| CLogS | -2.643 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.91 |
| Relative PSA | 0.32906 |
| PolarSurfaceArea | 86.03 |
| Druglikeness | 1.0572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]benzoate
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