7-[(E)-2-(4-nitrophenyl)ethenyl]thieno[2,3-c]pyridine
Formula:C15H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-(4-nitrophenyl)ethenyl]thieno[2,3-c]pyridine is a drug-like molecule.
| MolName | 7-[(E)-2-(4-nitrophenyl)ethenyl]thieno[2,3-c]pyridine |
| MolecularFormula | C15H10N2O2S |
| Smiles | [O-][N+](c1ccc(/C=C/c2c3sccc3ccn2)cc1)=O |
| InChI | InChI=1S/C15H10N2O2S/c18-17(19)13-4-1-11(2-5-13)3-6-14-15-12(7-9-16-14)8-10-20-15/h1-10H |
| InChIK | FUBYAFFPTIMRDR-UHFFFAOYSA-N |
| TotalMolweight | 282.322 |
| Molweight | 282.322 |
| MonoisotopicMass | 282.046298 |
| CLogP | 2.8371 |
| CLogS | -4.68 |
| H Acceptors | 4 |
| TotalSurfaceArea | 212.49 |
| Relative PSA | 0.2906 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | -5.958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 7-[(E)-2-(4-nitrophenyl)ethenyl]thieno[2,3-c]pyridine | 2 - 7-[(E)-2-(4-nitrophenyl)ethenyl]thieno[2,3-c]pyridine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off