(E)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
Formula:C20H23N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C20H23N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 |
| InChI | InChI=1S/C20H22N2O2/c23-20(11-8-17-4-2-1-3-5-17)21-19-9-6-18(7-10-19)16-22-12-14-24-15-13-22/h1-11H,12-16H2,(H,21,23)/p+1 |
| InChIK | PJSTUIZLMYTBTM-UHFFFAOYSA-O |
| TotalMolweight | 323.415 |
| Molweight | 323.415 |
| MonoisotopicMass | 323.175953 |
| CLogP | 0.6185 |
| CLogS | -3.079 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.37 |
| Relative PSA | 0.18713 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -2.4695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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