4-bromo-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
Formula:C15H12N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline |
| MolecularFormula | C15H12N5Br |
| Smiles | Brc(cc1)ccc1N/C=C/c1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C15H12BrN5/c16-12-6-8-13(9-7-12)17-11-10-15-18-19-20-21(15)14-4-2-1-3-5-14/h1-11,17H |
| InChIK | XVZQODOGNWLPID-UHFFFAOYSA-N |
| TotalMolweight | 342.199 |
| Molweight | 342.199 |
| MonoisotopicMass | 341.027606 |
| CLogP | 2.5506 |
| CLogS | -4.115 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.85 |
| Relative PSA | 0.21818 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -1.255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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