3-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
Formula:C16H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine is a drug-like molecule.
| MolName | 3-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine |
| MolecularFormula | C16H24N2O |
| Smiles | C(CNC/C=C/c1ccccc1)CN1CCOCC1 |
| InChI | InChI=1S/C16H24N2O/c1-2-6-16(7-3-1)8-4-9-17-10-5-11-18-12-14-19-15-13-18/h1-4,6-8,17H,5,9-15H2 |
| InChIK | QTDOGMAUHZOMBG-UHFFFAOYSA-N |
| TotalMolweight | 260.38 |
| Molweight | 260.38 |
| MonoisotopicMass | 260.188863 |
| CLogP | 1.9004 |
| CLogS | -1.769 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.1 |
| Relative PSA | 0.10964 |
| PolarSurfaceArea | 24.5 |
| Druglikeness | 2.2368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78947 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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