(E)-N-benzyl-3-phenylprop-2-en-1-amine
Formula:C16H17N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-3-phenylprop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-N-benzyl-3-phenylprop-2-en-1-amine |
| MolecularFormula | C16H17N |
| Smiles | C(/C=C/c1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C16H17N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-12,17H,13-14H2 |
| InChIK | RVJFXBCWUZCHPO-UHFFFAOYSA-N |
| TotalMolweight | 223.318 |
| Molweight | 223.318 |
| MonoisotopicMass | 223.136099 |
| CLogP | 3.1953 |
| CLogS | -3.332 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 198.5 |
| Relative PSA | 0.057733 |
| PolarSurfaceArea | 12.03 |
| Druglikeness | -0.11499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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