(E)-N-(1-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide
Formula:C19H21NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C19H21NOCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H21Cl2NO/c20-16-3-1-15(17(21)8-16)2-4-18(23)22-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2,(H,22,23) |
| InChIK | NKOSMWMHPBASTJ-UHFFFAOYSA-N |
| TotalMolweight | 350.288 |
| Molweight | 350.288 |
| MonoisotopicMass | 349.100018 |
| CLogP | 4.7148 |
| CLogS | -5.798 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 249.78 |
| Relative PSA | 0.098086 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.95648 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(1-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-(1-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide
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