(E)-3-(3-phenoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Formula:C19H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-phenoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H15NO2 |
| Smiles | O=C(/C=C/c1cc(Oc2ccccc2)ccc1)c1ccc[nH]1 |
| InChI | InChI=1S/C19H15NO2/c21-19(18-10-5-13-20-18)12-11-15-6-4-9-17(14-15)22-16-7-2-1-3-8-16/h1-14,20H |
| InChIK | AEWGXBKVOLFPNT-UHFFFAOYSA-N |
| TotalMolweight | 289.333 |
| Molweight | 289.333 |
| MonoisotopicMass | 289.110279 |
| CLogP | 3.4759 |
| CLogS | -5.185 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.6 |
| Relative PSA | 0.15651 |
| PolarSurfaceArea | 42.09 |
| Druglikeness | 2.1565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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