(E)-3-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Formula:C15H10O2ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C15H10O2ClF |
| Smiles | Oc(ccc(F)c1)c1C(/C=C/c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H10ClFO2/c16-13-4-2-1-3-10(13)5-7-14(18)12-9-11(17)6-8-15(12)19/h1-9,19H |
| InChIK | STLSPFHJUYEIBD-UHFFFAOYSA-N |
| TotalMolweight | 276.693 |
| Molweight | 276.693 |
| MonoisotopicMass | 276.035335 |
| CLogP | 3.6649 |
| CLogS | -4.594 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 205.39 |
| Relative PSA | 0.12727 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.1183 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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