(4R)-4-(4-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
Formula:C19H14NOI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4R)-4-(4-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is a drug-like molecule.
| MolName | (4R)-4-(4-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one |
| MolecularFormula | C19H14NOI |
| Smiles | O=C(C[C@@H]1c(cc2)ccc2I)Nc2c1ccc1ccccc12 |
| InChI | InChI=1S/C19H14INO/c20-14-8-5-13(6-9-14)17-11-18(22)21-19-15-4-2-1-3-12(15)7-10-16(17)19/h1-10,17H,11H2,(H,21,22)/t17-/m1/s1 |
| InChIK | KZCYLCQHPYCJIY-QGZVFWFLSA-N |
| TotalMolweight | 399.226 |
| Molweight | 399.226 |
| MonoisotopicMass | 399.012012 |
| CLogP | 3.6862 |
| CLogS | -6.048 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 235.87 |
| Relative PSA | 0.10387 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.0247 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (4R)-4-(4-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one | 2 - (4R)-4-(4-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
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