(E)-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
Formula:C16H20N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide |
| MolecularFormula | C16H20N2O2Cl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCCCN1CCOCC1 |
| InChI | InChI=1S/C16H20Cl2N2O2/c17-14-4-2-13(12-15(14)18)3-5-16(21)19-6-1-7-20-8-10-22-11-9-20/h2-5,12H,1,6-11H2,(H,19,21) |
| InChIK | OMQBYOLXCHPBOQ-UHFFFAOYSA-N |
| TotalMolweight | 343.253 |
| Molweight | 343.253 |
| MonoisotopicMass | 342.090182 |
| CLogP | 2.7628 |
| CLogS | -3.223 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.93 |
| Relative PSA | 0.14472 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 2.0121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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