(E)-1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one
Formula:C15H16OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H16OCl2 |
| Smiles | O=C(C1CCCCC1)/C=C/c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H16Cl2O/c16-13-8-6-11(10-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2 |
| InChIK | YGBYJPWPAIVCHU-UHFFFAOYSA-N |
| TotalMolweight | 283.197 |
| Molweight | 283.197 |
| MonoisotopicMass | 282.057819 |
| CLogP | 4.7077 |
| CLogS | -5.244 |
| H Acceptors | 1 |
| TotalSurfaceArea | 216.15 |
| Relative PSA | 0.060328 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.1465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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