(E)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
Formula:C16H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid |
| MolecularFormula | C16H12N2O2 |
| Smiles | OC(/C=C/c1c(-c2ccccc2)nc2n1cccc2)=O |
| InChI | InChI=1S/C16H12N2O2/c19-15(20)10-9-13-16(12-6-2-1-3-7-12)17-14-8-4-5-11-18(13)14/h1-11H,(H,19,20) |
| InChIK | RUBYIZKMLSFLLU-UHFFFAOYSA-N |
| TotalMolweight | 264.283 |
| Molweight | 264.283 |
| MonoisotopicMass | 264.089878 |
| CLogP | 2.0502 |
| CLogS | -5.082 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207.63 |
| Relative PSA | 0.21702 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 2.4816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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