(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide
Formula:C18H21N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H21N2O3 |
| Smiles | O=C(/C=C/c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 |
| InChI | InChI=1S/C18H20N2O3/c21-18(8-7-17-2-1-11-23-17)19-16-5-3-15(4-6-16)14-20-9-12-22-13-10-20/h1-8,11H,9-10,12-14H2,(H,19,21)/p+1 |
| InChIK | HOYXHJRCHSHBBP-UHFFFAOYSA-O |
| TotalMolweight | 313.376 |
| Molweight | 313.376 |
| MonoisotopicMass | 313.155218 |
| CLogP | -0.1928 |
| CLogS | -2.761 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.06 |
| Relative PSA | 0.24696 |
| PolarSurfaceArea | 55.91 |
| Druglikeness | -2.1505 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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