(E)-3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C22H16N2O2 |
| Smiles | OC(/C=C/c1c(-c(cc2)ccc2-c2ccccc2)nc2n1cccc2)=O |
| InChI | InChI=1S/C22H16N2O2/c25-21(26)14-13-19-22(23-20-8-4-5-15-24(19)20)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-15H,(H,25,26) |
| InChIK | OSUDLXBMNOHLKS-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 3.7094 |
| CLogS | -7.168 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.39 |
| Relative PSA | 0.16852 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 2.4816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid | 2 - (E)-3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
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