(E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one
Formula:C22H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C22H15N2OCl |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1ccccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15ClN2O/c23-17-12-10-16(11-13-17)21(26)18(14-15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25) |
| InChIK | SYDFTGJKPSDTMO-UHFFFAOYSA-N |
| TotalMolweight | 358.827 |
| Molweight | 358.827 |
| MonoisotopicMass | 358.08729 |
| CLogP | 4.7357 |
| CLogS | -5.028 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.59 |
| Relative PSA | 0.13889 |
| PolarSurfaceArea | 45.75 |
| Druglikeness | 1.6978 |
| 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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