8-hydroxy-2-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]quinoline-7-carboxylic acid
Formula:C19H13NO5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
8-hydroxy-2-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]quinoline-7-carboxylic acid is a drug-like molecule.
| MolName | 8-hydroxy-2-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]quinoline-7-carboxylic acid |
| MolecularFormula | C19H13NO5 |
| Smiles | O/C(/c1ccccc1)=C\C(c1ccc(ccc(C(O)=O)c2O)c2n1)=O |
| InChI | InChI=1S/C19H13NO5/c21-15(11-4-2-1-3-5-11)10-16(22)14-9-7-12-6-8-13(19(24)25)18(23)17(12)20-14/h1-10,21,23H,(H,24,25) |
| InChIK | JJXBOVFTGRZPSQ-UHFFFAOYSA-N |
| TotalMolweight | 335.314 |
| Molweight | 335.314 |
| MonoisotopicMass | 335.079374 |
| CLogP | 2.1081 |
| CLogS | -3.82 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 245.64 |
| Relative PSA | 0.31082 |
| PolarSurfaceArea | 107.72 |
| Druglikeness | 0.34091 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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