2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5-nitroquinoline
Formula:C18H12N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5-nitroquinoline is a drug-like molecule.
| MolName | 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5-nitroquinoline |
| MolecularFormula | C18H12N2O3F2 |
| Smiles | [O-][N+](c1c(ccc(/C=C/c(cc2)ccc2OC(F)F)n2)c2ccc1)=O |
| InChI | InChI=1S/C18H12F2N2O3/c19-18(20)25-14-9-5-12(6-10-14)4-7-13-8-11-15-16(21-13)2-1-3-17(15)22(23)24/h1-11,18H |
| InChIK | YVGHFJBMVSJHON-UHFFFAOYSA-N |
| TotalMolweight | 342.3 |
| Molweight | 342.3 |
| MonoisotopicMass | 342.081599 |
| CLogP | 3.4844 |
| CLogS | -5.564 |
| H Acceptors | 5 |
| TotalSurfaceArea | 251.75 |
| Relative PSA | 0.20413 |
| PolarSurfaceArea | 67.94 |
| Druglikeness | -9.1308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5-nitroquinoline | 2 - 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5-nitroquinoline
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