(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
Formula:C19H20N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-en-1-amine |
| MolecularFormula | C19H20N2 |
| Smiles | C(CNC/C=C/c1ccccc1)c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C19H20N2/c1-2-7-16(8-3-1)9-6-13-20-14-12-17-15-21-19-11-5-4-10-18(17)19/h1-11,15,20-21H,12-14H2 |
| InChIK | HXFLQBANGDSGQG-UHFFFAOYSA-N |
| TotalMolweight | 276.382 |
| Molweight | 276.382 |
| MonoisotopicMass | 276.162648 |
| CLogP | 3.6648 |
| CLogS | -3.969 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 236.43 |
| Relative PSA | 0.10764 |
| PolarSurfaceArea | 27.82 |
| Druglikeness | 0.69196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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