1-(4-chlorophenyl)-8-nitroso-4-phenyl-6,7-dihydro-5H-quinoline
Formula:C21H17N2OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(4-chlorophenyl)-8-nitroso-4-phenyl-6,7-dihydro-5H-quinoline is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-8-nitroso-4-phenyl-6,7-dihydro-5H-quinoline |
| MolecularFormula | C21H17N2OCl |
| Smiles | O=NC(CCCC1=C(C=C2)c3ccccc3)=C1N2c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H17ClN2O/c22-16-9-11-17(12-10-16)24-14-13-18(15-5-2-1-3-6-15)19-7-4-8-20(23-25)21(19)24/h1-3,5-6,9-14H,4,7-8H2 |
| InChIK | WDRXAEVFJNMCQK-UHFFFAOYSA-N |
| TotalMolweight | 348.832 |
| Molweight | 348.832 |
| MonoisotopicMass | 348.10294 |
| CLogP | 4.2737 |
| CLogS | -5.597 |
| H Acceptors | 3 |
| TotalSurfaceArea | 263.16 |
| Relative PSA | 0.10678 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -2.4249 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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