2-[(Z)-1-bromo-2-phenylethenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
Formula:C16H13N2BrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(Z)-1-bromo-2-phenylethenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is not a drug-like molecule.
| MolName | 2-[(Z)-1-bromo-2-phenylethenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole |
| MolecularFormula | C16H13N2BrS |
| Smiles | Br/C(/C1SC(c2ccccc2)=NN1)=C\c1ccccc1 |
| InChI | InChI=1S/C16H13BrN2S/c17-14(11-12-7-3-1-4-8-12)16-19-18-15(20-16)13-9-5-2-6-10-13/h1-11,16,19H/t16-/m0/s1 |
| InChIK | GPMUGJRXQWKXOX-INIZCTEOSA-N |
| TotalMolweight | 345.263 |
| Molweight | 345.263 |
| MonoisotopicMass | 343.998279 |
| CLogP | 5.9201 |
| CLogS | -5.854 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 227.28 |
| Relative PSA | 0.17802 |
| PolarSurfaceArea | 49.69 |
| Druglikeness | -2.5576 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-[(Z)-1-bromo-2-phenylethenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole | 2 - 2-[(Z)-1-bromo-2-phenylethenyl]-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
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