2-(1H-indol-3-yl)-1-[(E)-2-phenylethenyl]sulfonyl-2H-quinoline
Formula:C25H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-indol-3-yl)-1-[(E)-2-phenylethenyl]sulfonyl-2H-quinoline is a drug-like molecule.
| MolName | 2-(1H-indol-3-yl)-1-[(E)-2-phenylethenyl]sulfonyl-2H-quinoline |
| MolecularFormula | C25H20N2O2S |
| Smiles | O=S(/C=C/c1ccccc1)(N1c(cccc2)c2C=CC1c1c[nH]c2c1cccc2)=O |
| InChI | InChI=1S/C25H20N2O2S/c28-30(29,17-16-19-8-2-1-3-9-19)27-24-13-7-4-10-20(24)14-15-25(27)22-18-26-23-12-6-5-11-21(22)23/h1-18,25-26H/t25-/m0/s1 |
| InChIK | CHEBLQAOJBUFEY-VWLOTQADSA-N |
| TotalMolweight | 412.512 |
| Molweight | 412.512 |
| MonoisotopicMass | 412.124548 |
| CLogP | 4.5359 |
| CLogS | -6.862 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.83 |
| Relative PSA | 0.14982 |
| PolarSurfaceArea | 61.55 |
| Druglikeness | 2.0693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(1H-indol-3-yl)-1-[(E)-2-phenylethenyl]sulfonyl-2H-quinoline | 2 - 2-(1H-indol-3-yl)-1-[(E)-2-phenylethenyl]sulfonyl-2H-quinoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off