[(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-chlorobenzoate
Formula:C21H13N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-chlorobenzoate |
| MolecularFormula | C21H13N3O2Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c1c(-c2ccccc2)nc(cc2)n1cc2Cl |
| InChI | InChI=1S/C21H13Cl2N3O2/c22-16-8-6-15(7-9-16)21(27)28-24-12-18-20(14-4-2-1-3-5-14)25-19-11-10-17(23)13-26(18)19/h1-13H |
| InChIK | MUNMRGJJSBRVKF-UHFFFAOYSA-N |
| TotalMolweight | 410.259 |
| Molweight | 410.259 |
| MonoisotopicMass | 409.038481 |
| CLogP | 5.8768 |
| CLogS | -8.326 |
| H Acceptors | 5 |
| TotalSurfaceArea | 300.14 |
| Relative PSA | 0.17815 |
| PolarSurfaceArea | 55.96 |
| Druglikeness | -1.0828 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-chlorobenzoate | 2 - [(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-chlorobenzoate
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