(Z)-2-oxo-4-(3-phenylmethoxyphenyl)-3-quinolin-2-ylbut-3-enoic acid
Formula:C26H19NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-oxo-4-(3-phenylmethoxyphenyl)-3-quinolin-2-ylbut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-2-oxo-4-(3-phenylmethoxyphenyl)-3-quinolin-2-ylbut-3-enoic acid |
| MolecularFormula | C26H19NO4 |
| Smiles | OC(C(/C(/c1nc2ccccc2cc1)=C\c1cc(OCc2ccccc2)ccc1)=O)=O |
| InChI | InChI=1S/C26H19NO4/c28-25(26(29)30)22(24-14-13-20-10-4-5-12-23(20)27-24)16-19-9-6-11-21(15-19)31-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,30) |
| InChIK | WGVHFAKEOVYRQO-UHFFFAOYSA-N |
| TotalMolweight | 409.44 |
| Molweight | 409.44 |
| MonoisotopicMass | 409.131409 |
| CLogP | 3.9302 |
| CLogS | -4.949 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.46 |
| Relative PSA | 0.19007 |
| PolarSurfaceArea | 76.49 |
| Druglikeness | -6.631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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