8-nitroso-1,2,4-triphenyl-6,7-dihydro-5H-quinoline
Formula:C27H22N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
8-nitroso-1,2,4-triphenyl-6,7-dihydro-5H-quinoline is not a drug-like molecule.
| MolName | 8-nitroso-1,2,4-triphenyl-6,7-dihydro-5H-quinoline |
| MolecularFormula | C27H22N2O |
| Smiles | O=NC1=C2N(c3ccccc3)C(c3ccccc3)=CC(c3ccccc3)=C2CCC1 |
| InChI | InChI=1S/C27H22N2O/c30-28-25-18-10-17-23-24(20-11-4-1-5-12-20)19-26(21-13-6-2-7-14-21)29(27(23)25)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2 |
| InChIK | GTWPJYYYLOKSDI-UHFFFAOYSA-N |
| TotalMolweight | 390.485 |
| Molweight | 390.485 |
| MonoisotopicMass | 390.173213 |
| CLogP | 5.6314 |
| CLogS | -5.947 |
| H Acceptors | 3 |
| TotalSurfaceArea | 305.71 |
| Relative PSA | 0.091917 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -2.2818 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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