(E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
Formula:C15H16N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-en-1-amine |
| MolecularFormula | C15H16N2 |
| Smiles | C(/C=C/c1ccccc1)NCc1cccnc1 |
| InChI | InChI=1S/C15H16N2/c1-2-6-14(7-3-1)8-4-10-16-12-15-9-5-11-17-13-15/h1-9,11,13,16H,10,12H2 |
| InChIK | GLJKRLDTIUUHAT-UHFFFAOYSA-N |
| TotalMolweight | 224.306 |
| Molweight | 224.306 |
| MonoisotopicMass | 224.131348 |
| CLogP | 2.1944 |
| CLogS | -2.537 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 197.26 |
| Relative PSA | 0.11371 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -0.11499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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