(Z)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C21H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C21H14N3OCl |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C\c1cnccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H14ClN3O/c22-16-9-7-15(8-10-16)20(26)17(12-14-4-3-11-23-13-14)21-24-18-5-1-2-6-19(18)25-21/h1-13H,(H,24,25) |
| InChIK | IYGOJAZMODCCRV-UHFFFAOYSA-N |
| TotalMolweight | 359.815 |
| Molweight | 359.815 |
| MonoisotopicMass | 359.082539 |
| CLogP | 3.7348 |
| CLogS | -4.233 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.35 |
| Relative PSA | 0.17981 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.6978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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