5,7-dichloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-8-ol
Formula:C17H10N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5,7-dichloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 5,7-dichloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H10N2O3Cl2 |
| Smiles | [O-][N+](c1ccc(/C=C/c2ccc(c(Cl)cc(Cl)c3O)c3n2)cc1)=O |
| InChI | InChI=1S/C17H10Cl2N2O3/c18-14-9-15(19)17(22)16-13(14)8-5-11(20-16)4-1-10-2-6-12(7-3-10)21(23)24/h1-9,22H |
| InChIK | DWLUGBUBYKVTOL-UHFFFAOYSA-N |
| TotalMolweight | 361.183 |
| Molweight | 361.183 |
| MonoisotopicMass | 360.006847 |
| CLogP | 4.1813 |
| CLogS | -6.118 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.74 |
| Relative PSA | 0.21475 |
| PolarSurfaceArea | 78.94 |
| Druglikeness | -6.4184 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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