(E)-1-(benzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
Formula:C14H10N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(benzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(benzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10N2OS |
| Smiles | O=C(/C=C/c1cccs1)n1c(cccc2)c2nc1 |
| InChI | InChI=1S/C14H10N2OS/c17-14(8-7-11-4-3-9-18-11)16-10-15-12-5-1-2-6-13(12)16/h1-10H |
| InChIK | OCDJOFXCRKABGH-UHFFFAOYSA-N |
| TotalMolweight | 254.312 |
| Molweight | 254.312 |
| MonoisotopicMass | 254.051383 |
| CLogP | 3.0608 |
| CLogS | -3.46 |
| H Acceptors | 3 |
| TotalSurfaceArea | 195.77 |
| Relative PSA | 0.26174 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 2.7373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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