(E)-1-(1-benzylbenzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Formula:C23H17N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzylbenzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzylbenzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C23H17N2OCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c1nc(cccc2)c2n1Cc1ccccc1 |
| InChI | InChI=1S/C23H17ClN2O/c24-19-13-10-17(11-14-19)12-15-22(27)23-25-20-8-4-5-9-21(20)26(23)16-18-6-2-1-3-7-18/h1-15H,16H2 |
| InChIK | NBCMJRJVAMGAAJ-UHFFFAOYSA-N |
| TotalMolweight | 372.854 |
| Molweight | 372.854 |
| MonoisotopicMass | 372.10294 |
| CLogP | 4.8892 |
| CLogS | -4.524 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.77 |
| Relative PSA | 0.10694 |
| PolarSurfaceArea | 34.89 |
| Druglikeness | 3.6062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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