(E)-1-(2-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
Formula:C20H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-phenylmethoxyphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one |
| MolecularFormula | C20H17NO2 |
| Smiles | O=C(/C=C/c1ccc[nH]1)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H17NO2/c22-19(13-12-17-9-6-14-21-17)18-10-4-5-11-20(18)23-15-16-7-2-1-3-8-16/h1-14,21H,15H2 |
| InChIK | XFRSTVFRIPUMGT-UHFFFAOYSA-N |
| TotalMolweight | 303.36 |
| Molweight | 303.36 |
| MonoisotopicMass | 303.125929 |
| CLogP | 3.4284 |
| CLogS | -4.229 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.36 |
| Relative PSA | 0.14791 |
| PolarSurfaceArea | 42.09 |
| Druglikeness | 1.5585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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