(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one
Formula:C22H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C22H15N2OBr |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1Br)c1ccccc1 |
| InChI | InChI=1S/C22H15BrN2O/c23-17-12-10-15(11-13-17)14-18(21(26)16-6-2-1-3-7-16)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25) |
| InChIK | RXNCUZOGZHQKPT-UHFFFAOYSA-N |
| TotalMolweight | 403.278 |
| Molweight | 403.278 |
| MonoisotopicMass | 402.036774 |
| CLogP | 4.8549 |
| CLogS | -5.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 276.8 |
| Relative PSA | 0.13728 |
| PolarSurfaceArea | 45.75 |
| Druglikeness | -0.16031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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