(E)-3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
Formula:C16H10N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C16H10N2O2BrCl |
| Smiles | OC(/C=C/c1c(-c(cc2)ccc2Cl)nc(cc2)n1cc2Br)=O |
| InChI | InChI=1S/C16H10BrClN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-9H,(H,21,22) |
| InChIK | KJBFBZRVTKZRRG-UHFFFAOYSA-N |
| TotalMolweight | 377.624 |
| Molweight | 377.624 |
| MonoisotopicMass | 375.961416 |
| CLogP | 3.3814 |
| CLogS | -6.652 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.68 |
| Relative PSA | 0.18644 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -3.0013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - (E)-3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid | 2 - (E)-3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
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