4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoate
Formula:C15H16N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C15H16N3O4 |
| Smiles | [O-]C(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)/p-1 |
| InChIK | JGSLCGWIEUDBSE-UHFFFAOYSA-M |
| TotalMolweight | 302.309 |
| Molweight | 302.309 |
| MonoisotopicMass | 302.114082 |
| CLogP | -0.7562 |
| CLogS | -2.625 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 235.86 |
| Relative PSA | 0.33885 |
| PolarSurfaceArea | 101.9 |
| Druglikeness | 3.5333 |
| 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 |
Click to Load Molecule:
1 - 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off