4-bromo-N-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline
Formula:C15H11N5BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline |
| MolecularFormula | C15H11N5BrF |
| Smiles | Fc(cc1)ccc1-n1nnnc1/C=C/Nc(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrFN5/c16-11-1-5-13(6-2-11)18-10-9-15-19-20-21-22(15)14-7-3-12(17)4-8-14/h1-10,18H |
| InChIK | FJFBATRFEXOESD-UHFFFAOYSA-N |
| TotalMolweight | 360.189 |
| Molweight | 360.189 |
| MonoisotopicMass | 359.018184 |
| CLogP | 2.6514 |
| CLogS | -4.429 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.2 |
| Relative PSA | 0.21244 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -2.595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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