(2E,7E)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one
Formula:C21H18OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E,7E)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one is not a drug-like molecule.
| MolName | (2E,7E)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one |
| MolecularFormula | C21H18OCl2 |
| Smiles | O=C(/C(/CCCC1)=C/c(cccc2)c2Cl)/C1=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C21H18Cl2O/c22-19-11-5-3-7-15(19)13-17-9-1-2-10-18(21(17)24)14-16-8-4-6-12-20(16)23/h3-8,11-14H,1-2,9-10H2 |
| InChIK | SHLLNPTZMBSFFR-UHFFFAOYSA-N |
| TotalMolweight | 357.279 |
| Molweight | 357.279 |
| MonoisotopicMass | 356.073469 |
| CLogP | 6.392 |
| CLogS | -6.332 |
| H Acceptors | 1 |
| TotalSurfaceArea | 272.57 |
| Relative PSA | 0.047841 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.377 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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