(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide
Formula:C20H22N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H22N2O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 |
| InChI | InChI=1S/C20H21ClN2O2/c21-18-6-1-16(2-7-18)5-10-20(24)22-19-8-3-17(4-9-19)15-23-11-13-25-14-12-23/h1-10H,11-15H2,(H,22,24)/p+1 |
| InChIK | NRQDNDCTDFIMNZ-UHFFFAOYSA-O |
| TotalMolweight | 357.86 |
| Molweight | 357.86 |
| MonoisotopicMass | 357.13698 |
| CLogP | 1.2245 |
| CLogS | -3.815 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 293.79 |
| Relative PSA | 0.1773 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -2.3731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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