1-(4-phenylphenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
Formula:C19H19N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(4-phenylphenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole is a drug-like molecule.
| MolName | 1-(4-phenylphenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole |
| MolecularFormula | C19H19N5 |
| Smiles | C(CC1)CN1/C=C/c1nnnn1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C19H19N5/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)24-19(20-21-22-24)12-15-23-13-4-5-14-23/h1-3,6-12,15H,4-5,13-14H2 |
| InChIK | BDKIQTDUXSUREQ-UHFFFAOYSA-N |
| TotalMolweight | 317.395 |
| Molweight | 317.395 |
| MonoisotopicMass | 317.164045 |
| CLogP | 2.8334 |
| CLogS | -4.184 |
| H Acceptors | 5 |
| TotalSurfaceArea | 256.6 |
| Relative PSA | 0.16886 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | 1.9225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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