5-nitro-2-[(E)-2-thiophen-3-ylethenyl]quinoline
Formula:C15H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-2-[(E)-2-thiophen-3-ylethenyl]quinoline is a drug-like molecule.
| MolName | 5-nitro-2-[(E)-2-thiophen-3-ylethenyl]quinoline |
| MolecularFormula | C15H10N2O2S |
| Smiles | [O-][N+](c1c(ccc(/C=C/c2cscc2)n2)c2ccc1)=O |
| InChI | InChI=1S/C15H10N2O2S/c18-17(19)15-3-1-2-14-13(15)7-6-12(16-14)5-4-11-8-9-20-10-11/h1-10H |
| InChIK | DSRJMSCZVMXDSW-UHFFFAOYSA-N |
| TotalMolweight | 282.322 |
| Molweight | 282.322 |
| MonoisotopicMass | 282.046298 |
| CLogP | 3.0994 |
| CLogS | -4.842 |
| H Acceptors | 4 |
| TotalSurfaceArea | 212.49 |
| Relative PSA | 0.2906 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | -5.4374 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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