2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline
Formula:C18H19N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline |
| MolecularFormula | C18H19N |
| Smiles | C(/C=C/c1ccccc1)N(CC1)Cc2c1cccc2 |
| InChI | InChI=1S/C18H19N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-11H,12-15H2 |
| InChIK | NGTBVPMVXAYHJZ-UHFFFAOYSA-N |
| TotalMolweight | 249.356 |
| Molweight | 249.356 |
| MonoisotopicMass | 249.151749 |
| CLogP | 3.5576 |
| CLogS | -3.319 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.36 |
| Relative PSA | 0.016796 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 2.2511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline | 2 - 2-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline
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