(E)-3-(4-chlorophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide
Formula:C19H18N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C19H18N2OCl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1cccc(Cl)c1N1CCCC1 |
| InChI | InChI=1S/C19H18Cl2N2O/c20-15-9-6-14(7-10-15)8-11-18(24)22-17-5-3-4-16(21)19(17)23-12-1-2-13-23/h3-11H,1-2,12-13H2,(H,22,24) |
| InChIK | JBVGQWGSQQVSHX-UHFFFAOYSA-N |
| TotalMolweight | 361.271 |
| Molweight | 361.271 |
| MonoisotopicMass | 360.079617 |
| CLogP | 4.8393 |
| CLogS | -5.692 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.41 |
| Relative PSA | 0.10335 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.7017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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