(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
Formula:C19H17N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C19H17N2OCl3 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cccc1Cl)c1N1CCCC1 |
| InChI | InChI=1S/C19H17Cl3N2O/c20-14-8-6-13(16(22)12-14)7-9-18(25)23-17-5-3-4-15(21)19(17)24-10-1-2-11-24/h3-9,12H,1-2,10-11H2,(H,23,25) |
| InChIK | BNVSGWSNHZNJCM-UHFFFAOYSA-N |
| TotalMolweight | 395.716 |
| Molweight | 395.716 |
| MonoisotopicMass | 394.040644 |
| CLogP | 5.4453 |
| CLogS | -6.428 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.83 |
| Relative PSA | 0.097793 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.7017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
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