2-[(2,4-dichlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
Formula:C17H12N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is not a drug-like molecule.
| MolName | 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole |
| MolecularFormula | C17H12N2OCl2S |
| Smiles | Clc1cc(Cl)c(CSc2nnc(/C=C/c3ccccc3)o2)cc1 |
| InChI | InChI=1S/C17H12Cl2N2OS/c18-14-8-7-13(15(19)10-14)11-23-17-21-20-16(22-17)9-6-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChIK | INUNZWBSEFCHQL-UHFFFAOYSA-N |
| TotalMolweight | 363.267 |
| Molweight | 363.267 |
| MonoisotopicMass | 362.004737 |
| CLogP | 5.3537 |
| CLogS | -6.29 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.58 |
| Relative PSA | 0.19934 |
| PolarSurfaceArea | 64.22 |
| Druglikeness | 0.96147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole | 2 - 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
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