4-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]morpholine
Formula:C13H14N5OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]morpholine |
| MolecularFormula | C13H14N5OBr |
| Smiles | Brc(cc1)ccc1-n1nnnc1/C=C/N1CCOCC1 |
| InChI | InChI=1S/C13H14BrN5O/c14-11-1-3-12(4-2-11)19-13(15-16-17-19)5-6-18-7-9-20-10-8-18/h1-6H,7-10H2 |
| InChIK | OZLQZFFMMMRMDB-UHFFFAOYSA-N |
| TotalMolweight | 336.192 |
| Molweight | 336.192 |
| MonoisotopicMass | 335.038171 |
| CLogP | 1.0774 |
| CLogS | -2.313 |
| H Acceptors | 6 |
| TotalSurfaceArea | 225.47 |
| Relative PSA | 0.23653 |
| PolarSurfaceArea | 56.07 |
| Druglikeness | -0.7002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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