2-(4-ethylphenyl)-8-methylquinoline-4-carboxylic acid
Formula:C19H17NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylic acid is a drug-like molecule.
| MolName | 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylic acid |
| MolecularFormula | C19H17NO2 |
| Smiles | CCc(cc1)ccc1-c1nc2c(C)cccc2c(C(O)=O)c1 |
| InChI | InChI=1S/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22) |
| InChIK | RECUOGALSOTYHL-UHFFFAOYSA-N |
| TotalMolweight | 291.349 |
| Molweight | 291.349 |
| MonoisotopicMass | 291.125929 |
| CLogP | 4.3143 |
| CLogS | -4.96 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.76 |
| Relative PSA | 0.16222 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -1.802 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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