2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
Formula:C25H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid |
| MolecularFormula | C25H19NO3 |
| Smiles | OC(c1cc(/C=C/c(cc2)ccc2OCc2ccccc2)nc2ccccc12)=O |
| InChI | InChI=1S/C25H19NO3/c27-25(28)23-16-20(26-24-9-5-4-8-22(23)24)13-10-18-11-14-21(15-12-18)29-17-19-6-2-1-3-7-19/h1-16H,17H2,(H,27,28) |
| InChIK | RZOIPYPOCZMUPZ-UHFFFAOYSA-N |
| TotalMolweight | 381.43 |
| Molweight | 381.43 |
| MonoisotopicMass | 381.136494 |
| CLogP | 5.0698 |
| CLogS | -5.836 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.5 |
| Relative PSA | 0.15677 |
| PolarSurfaceArea | 59.42 |
| Druglikeness | -1.2944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid | 2 - 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
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