[(2S)-1-oxo-3-phenyl-1-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propan-2-yl]azanium
Formula:C18H18N5O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(2S)-1-oxo-3-phenyl-1-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propan-2-yl]azanium is a drug-like molecule.
| MolName | [(2S)-1-oxo-3-phenyl-1-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propan-2-yl]azanium |
| MolecularFormula | C18H18N5O |
| Smiles | [NH3+][C@@H](Cc1ccccc1)C(N/N=C\c1cccc2nccnc12)=O |
| InChI | InChI=1S/C18H17N5O/c19-15(11-13-5-2-1-3-6-13)18(24)23-22-12-14-7-4-8-16-17(14)21-10-9-20-16/h1-10,12,15H,11,19H2,(H,23,24)/p+1/t15-/m0/s1 |
| InChIK | FIWJARZFRQICQR-HNNXBMFYSA-O |
| TotalMolweight | 320.375 |
| Molweight | 320.375 |
| MonoisotopicMass | 320.151135 |
| CLogP | -1.4987 |
| CLogS | -3.439 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 253.1 |
| Relative PSA | 0.28617 |
| PolarSurfaceArea | 94.88 |
| Druglikeness | 3.8179 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [(2S)-1-oxo-3-phenyl-1-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propan-2-yl]azanium | 2 - [(2S)-1-oxo-3-phenyl-1-[(2Z)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propan-2-yl]azanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off