2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitroquinoline
Formula:C17H11N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitroquinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitroquinoline |
| MolecularFormula | C17H11N2O2F |
| Smiles | [O-][N+](c1c(ccc(/C=C/c2cccc(F)c2)n2)c2ccc1)=O |
| InChI | InChI=1S/C17H11FN2O2/c18-13-4-1-3-12(11-13)7-8-14-9-10-15-16(19-14)5-2-6-17(15)20(21)22/h1-11H |
| InChIK | XSGNCIDNZOTHMQ-UHFFFAOYSA-N |
| TotalMolweight | 294.284 |
| Molweight | 294.284 |
| MonoisotopicMass | 294.080456 |
| CLogP | 3.4158 |
| CLogS | -5.256 |
| H Acceptors | 4 |
| TotalSurfaceArea | 222.9 |
| Relative PSA | 0.18569 |
| PolarSurfaceArea | 58.71 |
| Druglikeness | -8.0008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitroquinoline | 2 - 2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitroquinoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off