(E)-3-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylprop-2-en-1-one
Formula:C16H10N2OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)sulfanyl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C16H10N2OClFS |
| Smiles | O=C(/C=C/Sc([nH]c1c2)nc1cc(Cl)c2F)c1ccccc1 |
| InChI | InChI=1S/C16H10ClFN2OS/c17-11-8-13-14(9-12(11)18)20-16(19-13)22-7-6-15(21)10-4-2-1-3-5-10/h1-9H,(H,19,20) |
| InChIK | XYGRLYPWQZXAPJ-UHFFFAOYSA-N |
| TotalMolweight | 332.785 |
| Molweight | 332.785 |
| MonoisotopicMass | 332.018638 |
| CLogP | 3.8988 |
| CLogS | -5.258 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.46 |
| Relative PSA | 0.23173 |
| PolarSurfaceArea | 71.05 |
| Druglikeness | -0.069951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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