(E)-1-phenyl-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
Formula:C22H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one |
| MolecularFormula | C22H21NO |
| Smiles | O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCC1)c1ccccc1 |
| InChI | InChI=1S/C22H21NO/c24-22(17-8-2-1-3-9-17)13-12-20-19-11-5-4-10-18(19)16-21(20)23-14-6-7-15-23/h1-5,8-13H,6-7,14-16H2 |
| InChIK | BFBNNRYQWZCJGA-UHFFFAOYSA-N |
| TotalMolweight | 315.415 |
| Molweight | 315.415 |
| MonoisotopicMass | 315.162314 |
| CLogP | 4.1104 |
| CLogS | -4.177 |
| H Acceptors | 2 |
| TotalSurfaceArea | 252.29 |
| Relative PSA | 0.065758 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 4.0774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| 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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