(E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide
Formula:C15H17N2OCl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide |
| MolecularFormula | C15H17N2OCl3 |
| Smiles | O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)N1CCCC1 |
| InChI | InChI=1S/C15H17Cl3N2O/c16-15(17,18)14(20-10-4-5-11-20)19-13(21)9-8-12-6-2-1-3-7-12/h1-3,6-9,14H,4-5,10-11H2,(H,19,21)/t14-/m0/s1 |
| InChIK | HBZRRWIUPLJFGH-AWEZNQCLSA-N |
| TotalMolweight | 347.672 |
| Molweight | 347.672 |
| MonoisotopicMass | 346.040644 |
| CLogP | 3.5819 |
| CLogS | -3.622 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.98 |
| Relative PSA | 0.11221 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 2.46 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | methanediamine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide | 2 - (E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide
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