(E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one
Formula:C22H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C22H14N2OCl2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(ccc(Cl)c1)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C22H14Cl2N2O/c23-16-11-10-15(18(24)13-16)12-17(21(27)14-6-2-1-3-7-14)22-25-19-8-4-5-9-20(19)26-22/h1-13H,(H,25,26) |
| InChIK | ILHIYIPSBPPYLF-UHFFFAOYSA-N |
| TotalMolweight | 393.272 |
| Molweight | 393.272 |
| MonoisotopicMass | 392.048317 |
| CLogP | 5.3417 |
| CLogS | -5.764 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.01 |
| Relative PSA | 0.13148 |
| PolarSurfaceArea | 45.75 |
| Druglikeness | 1.6978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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