(E)-3-phenyl-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Formula:C19H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one |
| MolecularFormula | C19H14N2OS |
| Smiles | C#CCSc1nc(cccc2)c2n1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C19H14N2OS/c1-2-14-23-19-20-16-10-6-7-11-17(16)21(19)18(22)13-12-15-8-4-3-5-9-15/h1,3-13H,14H2 |
| InChIK | AWYLKVSTRWMRAJ-UHFFFAOYSA-N |
| TotalMolweight | 318.399 |
| Molweight | 318.399 |
| MonoisotopicMass | 318.082683 |
| CLogP | 4.0314 |
| CLogS | -4.623 |
| H Acceptors | 3 |
| TotalSurfaceArea | 254.89 |
| Relative PSA | 0.18977 |
| PolarSurfaceArea | 60.19 |
| Druglikeness | 1.0019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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