(E)-3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
Formula:C16H11N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid |
| MolecularFormula | C16H11N2O2Br |
| Smiles | OC(/C=C/c1c(-c2ccccc2)nc(cc2)n1cc2Br)=O |
| InChI | InChI=1S/C16H11BrN2O2/c17-12-6-8-14-18-16(11-4-2-1-3-5-11)13(19(14)10-12)7-9-15(20)21/h1-10H,(H,20,21) |
| InChIK | JGYKVRYCBIQWHS-UHFFFAOYSA-N |
| TotalMolweight | 343.179 |
| Molweight | 343.179 |
| MonoisotopicMass | 342.000389 |
| CLogP | 2.7754 |
| CLogS | -5.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.26 |
| Relative PSA | 0.19915 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -3.0679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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