(E)-3-(2-chlorophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C19H18NO3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-3-(2-chlorophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C19H18NO3ClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C19H18ClNO3S/c20-18-6-2-1-5-15(18)9-12-19(22)16-7-10-17(11-8-16)25(23,24)21-13-3-4-14-21/h1-2,5-12H,3-4,13-14H2 |
| InChIK | KQSXWQJDSDCRLC-UHFFFAOYSA-N |
| TotalMolweight | 375.875 |
| Molweight | 375.875 |
| MonoisotopicMass | 375.069591 |
| CLogP | 3.7746 |
| CLogS | -4.401 |
| H Acceptors | 4 |
| TotalSurfaceArea | 273.11 |
| Relative PSA | 0.16539 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 4.447 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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