(E)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
Formula:C17H12N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C17H12N2OS2 |
| Smiles | C#CCSc1nc(cccc2)c2n1C(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C17H12N2OS2/c1-2-11-22-17-18-14-7-3-4-8-15(14)19(17)16(20)10-9-13-6-5-12-21-13/h1,3-10,12H,11H2 |
| InChIK | KRINILDZIUIEPS-UHFFFAOYSA-N |
| TotalMolweight | 324.427 |
| Molweight | 324.427 |
| MonoisotopicMass | 324.039103 |
| CLogP | 3.898 |
| CLogS | -4.633 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.83 |
| Relative PSA | 0.27401 |
| PolarSurfaceArea | 88.43 |
| Druglikeness | 2.542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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