(E)-N-(2-chlorophenyl)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
Formula:C20H18N3OCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H18N3OCl |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C20H18ClN3O/c21-18-5-1-2-6-19(18)23-20(25)16(14-22)13-15-7-9-17(10-8-15)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H,23,25) |
| InChIK | UHEGGGYAPREPID-UHFFFAOYSA-N |
| TotalMolweight | 351.836 |
| Molweight | 351.836 |
| MonoisotopicMass | 351.113839 |
| CLogP | 4.0853 |
| CLogS | -5.228 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.91 |
| Relative PSA | 0.15081 |
| PolarSurfaceArea | 56.13 |
| Druglikeness | 0.04 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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