4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C15H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H17N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(C(N2CCCCC2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H17N3O4/c19-13(14(20)18-8-2-1-3-9-18)17-16-10-11-4-6-12(7-5-11)15(21)22/h4-7,10H,1-3,8-9H2,(H,17,19)(H,21,22) |
| InChIK | JGSLCGWIEUDBSE-UHFFFAOYSA-N |
| TotalMolweight | 303.317 |
| Molweight | 303.317 |
| MonoisotopicMass | 303.121907 |
| CLogP | 1.3198 |
| CLogS | -2.625 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.68 |
| Relative PSA | 0.33552 |
| PolarSurfaceArea | 99.07 |
| Druglikeness | 3.3269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
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