2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitroquinoline
Formula:C17H10N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitroquinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitroquinoline |
| MolecularFormula | C17H10N2O2Cl2 |
| Smiles | [O-][N+](c1c(ccc(/C=C/c2cccc(Cl)c2Cl)n2)c2ccc1)=O |
| InChI | InChI=1S/C17H10Cl2N2O2/c18-14-4-1-3-11(17(14)19)7-8-12-9-10-13-15(20-12)5-2-6-16(13)21(22)23/h1-10H |
| InChIK | JOQLVNKEOPZSGR-UHFFFAOYSA-N |
| TotalMolweight | 345.184 |
| Molweight | 345.184 |
| MonoisotopicMass | 344.011932 |
| CLogP | 4.527 |
| CLogS | -6.414 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.39 |
| Relative PSA | 0.16731 |
| PolarSurfaceArea | 58.71 |
| Druglikeness | -6.4989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitroquinoline | 2 - 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-5-nitroquinoline
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