(E)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol
Formula:C17H13N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol is a drug-like molecule.
| MolName | (E)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol |
| MolecularFormula | C17H13N2O2BrS |
| Smiles | O/C(/c(cc1)ccc1Br)=C/Sc1nnc(Cc2ccccc2)o1 |
| InChI | InChI=1S/C17H13BrN2O2S/c18-14-8-6-13(7-9-14)15(21)11-23-17-20-19-16(22-17)10-12-4-2-1-3-5-12/h1-9,11,21H,10H2 |
| InChIK | HRVIRHGJCFIBKV-UHFFFAOYSA-N |
| TotalMolweight | 389.272 |
| Molweight | 389.272 |
| MonoisotopicMass | 387.988109 |
| CLogP | 4.0628 |
| CLogS | -4.855 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.93 |
| Relative PSA | 0.25539 |
| PolarSurfaceArea | 84.45 |
| Druglikeness | -0.84551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol | 2 - (E)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)ethenol
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