(E)-3-(3-hydroxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C19H19NO4S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-3-(3-hydroxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-hydroxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C19H19NO4S |
| Smiles | Oc1cccc(/C=C/C(c(cc2)ccc2S(N2CCCC2)(=O)=O)=O)c1 |
| InChI | InChI=1S/C19H19NO4S/c21-17-5-3-4-15(14-17)6-11-19(22)16-7-9-18(10-8-16)25(23,24)20-12-1-2-13-20/h3-11,14,21H,1-2,12-13H2 |
| InChIK | WCGXSFWACOLWCL-UHFFFAOYSA-N |
| TotalMolweight | 357.429 |
| Molweight | 357.429 |
| MonoisotopicMass | 357.103479 |
| CLogP | 2.8229 |
| CLogS | -3.369 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.04 |
| Relative PSA | 0.22069 |
| PolarSurfaceArea | 83.06 |
| Druglikeness | 4.0399 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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