(3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-a]pyridin-2-one
Formula:C14H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-a]pyridin-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-a]pyridin-2-one |
| MolecularFormula | C14H9N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C2/N(C=CC=C3)C3=NC2=O)cc1)=O |
| InChI | InChI=1S/C14H9N3O3/c18-14-12(16-8-2-1-3-13(16)15-14)9-10-4-6-11(7-5-10)17(19)20/h1-9H |
| InChIK | JREUCVOYKXFXSJ-UHFFFAOYSA-N |
| TotalMolweight | 267.243 |
| Molweight | 267.243 |
| MonoisotopicMass | 267.064392 |
| CLogP | 0.3062 |
| CLogS | -3.363 |
| H Acceptors | 6 |
| TotalSurfaceArea | 198.66 |
| Relative PSA | 0.29457 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -2.2723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-a]pyridin-2-one | 2 - (3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-a]pyridin-2-one
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