(Z)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C23H13N3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C23H13N3ClF3 |
| Smiles | N#C/C(/c1cc(C(F)(F)F)ccc1)=C\c1c(-c2ccccc2)nc(cc2)n1cc2Cl |
| InChI | InChI=1S/C23H13ClF3N3/c24-19-9-10-21-29-22(15-5-2-1-3-6-15)20(30(21)14-19)12-17(13-28)16-7-4-8-18(11-16)23(25,26)27/h1-12,14H |
| InChIK | MXBWZOAGZGYTBP-UHFFFAOYSA-N |
| TotalMolweight | 423.824 |
| Molweight | 423.824 |
| MonoisotopicMass | 423.075008 |
| CLogP | 5.5336 |
| CLogS | -8.226 |
| H Acceptors | 3 |
| TotalSurfaceArea | 308.09 |
| Relative PSA | 0.10542 |
| PolarSurfaceArea | 41.09 |
| Druglikeness | -9.9556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile | 2 - (Z)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
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