1-naphthalen-2-yl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
Formula:C17H17N5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
1-naphthalen-2-yl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole is a drug-like molecule.
| MolName | 1-naphthalen-2-yl-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole |
| MolecularFormula | C17H17N5 |
| Smiles | C(CC1)CN1/C=C/c1nnnn1-c1cc2ccccc2cc1 |
| InChI | InChI=1S/C17H17N5/c1-2-6-15-13-16(8-7-14(15)5-1)22-17(18-19-20-22)9-12-21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2 |
| InChIK | QKHHTGPWVAHSHX-UHFFFAOYSA-N |
| TotalMolweight | 291.357 |
| Molweight | 291.357 |
| MonoisotopicMass | 291.148395 |
| CLogP | 2.3686 |
| CLogS | -3.704 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.44 |
| Relative PSA | 0.18722 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | 1.9225 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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