2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-5-phenyl-1,3-oxazole
Formula:C17H11NOBrCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-5-phenyl-1,3-oxazole is not a drug-like molecule.
| MolName | 2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-5-phenyl-1,3-oxazole |
| MolecularFormula | C17H11NOBrCl |
| Smiles | Cl/C(/c1ncc(-c2ccccc2)o1)=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H11BrClNO/c18-14-8-6-12(7-9-14)10-15(19)17-20-11-16(21-17)13-4-2-1-3-5-13/h1-11H |
| InChIK | RTUYIXYWUGGBLF-UHFFFAOYSA-N |
| TotalMolweight | 360.637 |
| Molweight | 360.637 |
| MonoisotopicMass | 358.971252 |
| CLogP | 5.0826 |
| CLogS | -4.246 |
| H Acceptors | 2 |
| TotalSurfaceArea | 239.99 |
| Relative PSA | 0.1045 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -1.9027 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-5-phenyl-1,3-oxazole | 2 - 2-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-5-phenyl-1,3-oxazole
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