(E)-1-(4-bromophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
Formula:C22H20NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one |
| MolecularFormula | C22H20NOBr |
| Smiles | O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCC1)c(cc1)ccc1Br |
| InChI | InChI=1S/C22H20BrNO/c23-18-9-7-16(8-10-18)22(25)12-11-20-19-6-2-1-5-17(19)15-21(20)24-13-3-4-14-24/h1-2,5-12H,3-4,13-15H2 |
| InChIK | SGJCWZQCTZPTIL-UHFFFAOYSA-N |
| TotalMolweight | 394.311 |
| Molweight | 394.311 |
| MonoisotopicMass | 393.072825 |
| CLogP | 4.8356 |
| CLogS | -5.011 |
| H Acceptors | 2 |
| TotalSurfaceArea | 270.92 |
| Relative PSA | 0.061236 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.2874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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