(E)-3-quinolin-2-yl-2-(quinolin-2-ylmethyl)prop-2-enoic acid
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-quinolin-2-yl-2-(quinolin-2-ylmethyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-quinolin-2-yl-2-(quinolin-2-ylmethyl)prop-2-enoic acid |
| MolecularFormula | C22H16N2O2 |
| Smiles | OC(/C(/Cc1nc2ccccc2cc1)=C/c1nc2ccccc2cc1)=O |
| InChI | InChI=1S/C22H16N2O2/c25-22(26)17(13-18-11-9-15-5-1-3-7-20(15)23-18)14-19-12-10-16-6-2-4-8-21(16)24-19/h1-13H,14H2,(H,25,26) |
| InChIK | KWACQLPMMSJLIC-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 4.2622 |
| CLogS | -4.718 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.31 |
| Relative PSA | 0.18329 |
| PolarSurfaceArea | 63.08 |
| Druglikeness | -0.23293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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