(Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one
Formula:C22H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one |
| MolecularFormula | C22H20N2O |
| Smiles | O=C(/C=C(/c1ccccc1)\NCCc1ccncc1)c1ccccc1 |
| InChI | InChI=1S/C22H20N2O/c25-22(20-9-5-2-6-10-20)17-21(19-7-3-1-4-8-19)24-16-13-18-11-14-23-15-12-18/h1-12,14-15,17,24H,13,16H2 |
| InChIK | DFJODORSJQMCOY-UHFFFAOYSA-N |
| TotalMolweight | 328.414 |
| Molweight | 328.414 |
| MonoisotopicMass | 328.157563 |
| CLogP | 3.3997 |
| CLogS | -4.005 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.98 |
| Relative PSA | 0.12994 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 2.1967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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