(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide
Formula:C19H19N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C19H19N2OCl |
| Smiles | O=C(/C=C/c1ccccc1)Nc1cccc(Cl)c1N1CCCC1 |
| InChI | InChI=1S/C19H19ClN2O/c20-16-9-6-10-17(19(16)22-13-4-5-14-22)21-18(23)12-11-15-7-2-1-3-8-15/h1-3,6-12H,4-5,13-14H2,(H,21,23) |
| InChIK | NNLNXJHNMTYQGM-UHFFFAOYSA-N |
| TotalMolweight | 326.826 |
| Molweight | 326.826 |
| MonoisotopicMass | 326.11859 |
| CLogP | 4.2333 |
| CLogS | -4.956 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 255.99 |
| Relative PSA | 0.10957 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.7017 |
| 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 | 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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