(E)-3-(2-chlorophenyl)-1-[5-(3-cyclohexylprop-1-ynyl)thiophen-2-yl]prop-2-en-1-one
Formula:C22H21OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-1-[5-(3-cyclohexylprop-1-ynyl)thiophen-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-1-[5-(3-cyclohexylprop-1-ynyl)thiophen-2-yl]prop-2-en-1-one |
| MolecularFormula | C22H21OClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c1ccc(C#CCC2CCCCC2)s1 |
| InChI | InChI=1S/C22H21ClOS/c23-20-12-5-4-10-18(20)13-15-21(24)22-16-14-19(25-22)11-6-9-17-7-2-1-3-8-17/h4-5,10,12-17H,1-3,7-9H2 |
| InChIK | OQIFWXRPOFGDOM-UHFFFAOYSA-N |
| TotalMolweight | 368.927 |
| Molweight | 368.927 |
| MonoisotopicMass | 368.100162 |
| CLogP | 6.6784 |
| CLogS | -7.587 |
| H Acceptors | 1 |
| TotalSurfaceArea | 299.99 |
| Relative PSA | 0.11134 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | -6.5281 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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