(2E,6E)-2-benzylidene-6-[(4-chlorophenyl)methylidene]cyclohexan-1-one
Formula:C20H17OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2-benzylidene-6-[(4-chlorophenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E,6E)-2-benzylidene-6-[(4-chlorophenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H17OCl |
| Smiles | O=C(/C(/CCC1)=C/c2ccccc2)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H17ClO/c21-19-11-9-16(10-12-19)14-18-8-4-7-17(20(18)22)13-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2 |
| InChIK | JVNRKLUOBQCOLV-UHFFFAOYSA-N |
| TotalMolweight | 308.807 |
| Molweight | 308.807 |
| MonoisotopicMass | 308.096792 |
| CLogP | 5.444 |
| CLogS | -5.326 |
| H Acceptors | 1 |
| TotalSurfaceArea | 243.39 |
| Relative PSA | 0.053577 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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