(E)-2-(1H-benzimidazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
Formula:C21H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C21H15N3O |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cnccc1)c1ccccc1 |
| InChI | InChI=1S/C21H15N3O/c25-20(16-8-2-1-3-9-16)17(13-15-7-6-12-22-14-15)21-23-18-10-4-5-11-19(18)24-21/h1-14H,(H,23,24) |
| InChIK | CPYYSHRDCIUAKX-UHFFFAOYSA-N |
| TotalMolweight | 325.37 |
| Molweight | 325.37 |
| MonoisotopicMass | 325.121512 |
| CLogP | 3.1288 |
| CLogS | -3.497 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.93 |
| Relative PSA | 0.1906 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.6297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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