benzyl-[(1S)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-phenylethyl]azanium
Formula:C22H22N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl-[(1S)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-phenylethyl]azanium is a drug-like molecule.
| MolName | benzyl-[(1S)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-phenylethyl]azanium |
| MolecularFormula | C22H22N3O |
| Smiles | O=C([C@H](c1ccccc1)[NH2+]Cc1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H21N3O/c26-22(25-24-17-19-12-6-2-7-13-19)21(20-14-8-3-9-15-20)23-16-18-10-4-1-5-11-18/h1-15,17,21,23H,16H2,(H,25,26)/p+1/t21-/m0/s1 |
| InChIK | GZFBNTSWXXSKSO-NRFANRHFSA-O |
| TotalMolweight | 344.437 |
| Molweight | 344.437 |
| MonoisotopicMass | 344.176287 |
| CLogP | 2.2767 |
| CLogS | -4.453 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 280.75 |
| Relative PSA | 0.15583 |
| PolarSurfaceArea | 58.07 |
| Druglikeness | 4.8104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - benzyl-[(1S)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-phenylethyl]azanium | 2 - benzyl-[(1S)-2-[(2Z)-2-benzylidenehydrazinyl]-2-oxo-1-phenylethyl]azanium
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