5-[(E)-2-phenylethenyl]-2H-tetrazole
Formula:C9H8N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-2H-tetrazole is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-2H-tetrazole |
| MolecularFormula | C9H8N4 |
| Smiles | C(c1n[nH]nn1)=C/c1ccccc1 |
| InChI | InChI=1S/C9H8N4/c1-2-4-8(5-3-1)6-7-9-10-12-13-11-9/h1-7H,(H,10,11,12,13) |
| InChIK | UHYGCMNTYAEAHI-UHFFFAOYSA-N |
| TotalMolweight | 172.191 |
| Molweight | 172.191 |
| MonoisotopicMass | 172.074896 |
| CLogP | 1.3795 |
| CLogS | -2.173 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 145.37 |
| Relative PSA | 0.32263 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | -3.5417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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