(E)-1-(benzimidazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
Formula:C16H11N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(benzimidazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(benzimidazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C16H11N2OCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)n1c(cccc2)c2nc1 |
| InChI | InChI=1S/C16H11ClN2O/c17-13-5-3-4-12(10-13)8-9-16(20)19-11-18-14-6-1-2-7-15(14)19/h1-11H |
| InChIK | YEANEBJIUFOSIQ-UHFFFAOYSA-N |
| TotalMolweight | 282.729 |
| Molweight | 282.729 |
| MonoisotopicMass | 282.05599 |
| CLogP | 3.8002 |
| CLogS | -4.186 |
| H Acceptors | 3 |
| TotalSurfaceArea | 215.25 |
| Relative PSA | 0.14346 |
| PolarSurfaceArea | 34.89 |
| Druglikeness | 0.93824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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