3-(3-chlorophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium
Formula:C19H12N4ClS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-(3-chlorophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.
| MolName | 3-(3-chlorophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium |
| MolecularFormula | C19H12N4ClS |
| Smiles | Clc1cc(-[n+]2c(-c3cccs3)[nH]c3nc4ccccc4nc23)ccc1 |
| InChI | InChI=1S/C19H11ClN4S/c20-12-5-3-6-13(11-12)24-18(16-9-4-10-25-16)23-17-19(24)22-15-8-2-1-7-14(15)21-17/h1-11H/p+1 |
| InChIK | JNCJSEUCPMKCSZ-UHFFFAOYSA-O |
| TotalMolweight | 363.851 |
| Molweight | 363.851 |
| MonoisotopicMass | 363.047118 |
| CLogP | 4.1964 |
| CLogS | -9.414 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.73 |
| Relative PSA | 0.22912 |
| PolarSurfaceArea | 73.69 |
| Druglikeness | 1.9177 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3-chlorophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium | 2 - 3-(3-chlorophenyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]quinoxalin-3-ium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off