(3E)-3-[(3-nitrophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole
Formula:C22H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3-nitrophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole is a drug-like molecule.
| MolName | (3E)-3-[(3-nitrophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole |
| MolecularFormula | C22H14N4O2 |
| Smiles | [O-][N+](c1cc(/C=C2/N=C(c3ccccc3)n3c2nc2c3cccc2)ccc1)=O |
| InChI | InChI=1S/C22H14N4O2/c27-26(28)17-10-6-7-15(13-17)14-19-22-23-18-11-4-5-12-20(18)25(22)21(24-19)16-8-2-1-3-9-16/h1-14H |
| InChIK | BHTYVZQUXDHVEM-UHFFFAOYSA-N |
| TotalMolweight | 366.379 |
| Molweight | 366.379 |
| MonoisotopicMass | 366.111676 |
| CLogP | 4.0196 |
| CLogS | -5.804 |
| H Acceptors | 6 |
| TotalSurfaceArea | 273.19 |
| Relative PSA | 0.21879 |
| PolarSurfaceArea | 76 |
| Druglikeness | -3.8639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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