(2Z,7E)-2,7-bis[(2,4-dichlorophenyl)methylidene]cycloheptan-1-one
Formula:C21H16OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,7E)-2,7-bis[(2,4-dichlorophenyl)methylidene]cycloheptan-1-one is not a drug-like molecule.
| MolName | (2Z,7E)-2,7-bis[(2,4-dichlorophenyl)methylidene]cycloheptan-1-one |
| MolecularFormula | C21H16OCl4 |
| Smiles | O=C(/C(/CCCC1)=C/c(ccc(Cl)c2)c2Cl)/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C21H16Cl4O/c22-17-7-5-13(19(24)11-17)9-15-3-1-2-4-16(21(15)26)10-14-6-8-18(23)12-20(14)25/h5-12H,1-4H2 |
| InChIK | RVCZFIMQQWQFTP-UHFFFAOYSA-N |
| TotalMolweight | 426.169 |
| Molweight | 426.169 |
| MonoisotopicMass | 423.995523 |
| CLogP | 7.604 |
| CLogS | -7.804 |
| H Acceptors | 1 |
| TotalSurfaceArea | 303.41 |
| Relative PSA | 0.042978 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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