[(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] thiophene-2-carboxylate
Formula:C19H12N3O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C19H12N3O2ClS |
| Smiles | O=C(c1cccs1)O/N=C\c1c(-c2ccccc2)nc(cc2)n1cc2Cl |
| InChI | InChI=1S/C19H12ClN3O2S/c20-14-8-9-17-22-18(13-5-2-1-3-6-13)15(23(17)12-14)11-21-25-19(24)16-7-4-10-26-16/h1-12H |
| InChIK | QMVHHCHGQBEKEG-UHFFFAOYSA-N |
| TotalMolweight | 381.842 |
| Molweight | 381.842 |
| MonoisotopicMass | 381.033874 |
| CLogP | 5.1374 |
| CLogS | -7.6 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.66 |
| Relative PSA | 0.26306 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | 0.9763 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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