2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
Formula:C21H22NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol is a drug-like molecule.
| MolName | 2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol |
| MolecularFormula | C21H22NOBr |
| Smiles | OC(CN(CC1)CC=C1/C=C/c(cc1)ccc1Br)c1ccccc1 |
| InChI | InChI=1S/C21H22BrNO/c22-20-10-8-17(9-11-20)6-7-18-12-14-23(15-13-18)16-21(24)19-4-2-1-3-5-19/h1-12,21,24H,13-16H2/t21-/m0/s1 |
| InChIK | VABIWRWPHBKECP-NRFANRHFSA-N |
| TotalMolweight | 384.316 |
| Molweight | 384.316 |
| MonoisotopicMass | 383.088475 |
| CLogP | 4.4385 |
| CLogS | -3.92 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 273.55 |
| Relative PSA | 0.060866 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 2.2163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol | 2 - 2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
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