1-[(E)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]azepane
Formula:C21H23N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]azepane is a drug-like molecule.
| MolName | 1-[(E)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenyl]azepane |
| MolecularFormula | C21H23N5 |
| Smiles | C(CCC1)CCN1/C=C/c1nnnn1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H23N5/c1-2-7-16-25(15-6-1)17-14-21-22-23-24-26(21)20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-5,8-14,17H,1-2,6-7,15-16H2 |
| InChIK | YZULJWWBOANRNC-UHFFFAOYSA-N |
| TotalMolweight | 345.449 |
| Molweight | 345.449 |
| MonoisotopicMass | 345.195345 |
| CLogP | 3.5174 |
| CLogS | -4.724 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.12 |
| Relative PSA | 0.15251 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | -2.0315 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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