[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propan-2-yl]azanium
Formula:C20H19N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propan-2-yl]azanium is a drug-like molecule.
| MolName | [(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propan-2-yl]azanium |
| MolecularFormula | C20H19N6O |
| Smiles | [NH3+][C@H](Cc1c[nH]c2c1cccc2)C(N/N=C\c1cc2nccnc2cc1)=O |
| InChI | InChI=1S/C20H18N6O/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18/h1-9,11-12,16,24H,10,21H2,(H,26,27)/p+1/t16-/m1/s1 |
| InChIK | FGYHLIHEFHCMPP-MRXNPFEDSA-O |
| TotalMolweight | 359.412 |
| Molweight | 359.412 |
| MonoisotopicMass | 359.162034 |
| CLogP | -1.4593 |
| CLogS | -3.964 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 277.27 |
| Relative PSA | 0.31168 |
| PolarSurfaceArea | 110.67 |
| Druglikeness | 4.0537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propan-2-yl]azanium | 2 - [(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]propan-2-yl]azanium
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