(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
Formula:C22H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C22H15N2O2Br |
| Smiles | OC(/C=C/c1c(-c(cc2)ccc2-c2ccccc2)nc(cc2)n1cc2Br)=O |
| InChI | InChI=1S/C22H15BrN2O2/c23-18-10-12-20-24-22(19(25(20)14-18)11-13-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27) |
| InChIK | KPZOSRNRELRVLJ-UHFFFAOYSA-N |
| TotalMolweight | 419.277 |
| Molweight | 419.277 |
| MonoisotopicMass | 418.031689 |
| CLogP | 4.4346 |
| CLogS | -8.002 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.02 |
| Relative PSA | 0.15754 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -3.0679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid | 2 - (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
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