4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium
Formula:C16H16N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium |
| MolecularFormula | C16H16N |
| Smiles | C1[NH2+]Cc2c1cccc2/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H15N/c1-2-5-13(6-3-1)9-10-14-7-4-8-15-11-17-12-16(14)15/h1-10,17H,11-12H2/p+1 |
| InChIK | WXBFTUGODJJVQI-UHFFFAOYSA-O |
| TotalMolweight | 222.31 |
| Molweight | 222.31 |
| MonoisotopicMass | 222.128274 |
| CLogP | 2.3458 |
| CLogS | -3.865 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 181.28 |
| Relative PSA | 0.042696 |
| PolarSurfaceArea | 16.61 |
| Druglikeness | -2.1683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium | 2 - 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium
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