(E)-3-(3-phenylquinoxalin-2-yl)prop-2-enoic acid
Formula:C17H12N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenylquinoxalin-2-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(3-phenylquinoxalin-2-yl)prop-2-enoic acid |
| MolecularFormula | C17H12N2O2 |
| Smiles | OC(/C=C/c1nc2ccccc2nc1-c1ccccc1)=O |
| InChI | InChI=1S/C17H12N2O2/c20-16(21)11-10-15-17(12-6-2-1-3-7-12)19-14-9-5-4-8-13(14)18-15/h1-11H,(H,20,21) |
| InChIK | YPUVOFWFSKCSCS-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 2.7157 |
| CLogS | -3.607 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.74 |
| Relative PSA | 0.22286 |
| PolarSurfaceArea | 63.08 |
| Druglikeness | 0.34271 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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