Secondary metabolite: Chlorophellin C Summary Molecular formula: C21H10Cl10O6
SMILES: COc1c(Cl)c(Oc2c(Cl)c(Cl)c(c(c2Cl)Cl)OC)c(c(c1Cl)Cl)Oc1c(O)c(Cl)c(c(c1Cl)OC)Cl InChI: InChI=1S/C21H10Cl10O6/c1-33-15-6(24)9(27)18(10(28)7(15)25)36-21-13(31)17(35-3)8(26)11(29)20(21)37-19-12(30)16(34-2)5(23)4(22)14(19)32/h32H,1-3H3 InChIKey: LHRIQEBWOGFVNM-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Benzenoids Class: Benzene and substituted derivatives
Sub class: Diphenylethers
Synonymous chemical names: chlorophellin c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 712.84 Log P RDKit 11.54 Topological polar surface area (Å2 ) RDKit 66.38 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 21 Number of heavy atoms RDKit 37 Number of heteroatoms RDKit 16 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 18 Number of sp3 hybridized carbon atoms RDKit 3 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.14 Shape complexity RDKit 0.14 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 3 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 3 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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