1-phenyl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
Formula:C13H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole is a drug-like molecule.
| MolName | 1-phenyl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole |
| MolecularFormula | C13H15N5 |
| Smiles | C(CC1)CN1/C=C/c1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2 |
| InChIK | LBWSGNVMRJXSLA-UHFFFAOYSA-N |
| TotalMolweight | 241.297 |
| Molweight | 241.297 |
| MonoisotopicMass | 241.132745 |
| CLogP | 1.1742 |
| CLogS | -2.098 |
| H Acceptors | 5 |
| TotalSurfaceArea | 196.84 |
| Relative PSA | 0.22013 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | 1.9225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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