Chemical ID: 4688959

c1ccc(cc1)COc2c(cc(c(c2Cl)OCc3ccccc3)Cl)Cl
Chemical ID:
4688959
Name [?]:
2,4-dibenzyloxy-1,3,5-trichloro-benzene
SMILES [?]:
c1ccc(cc1)COc2c(cc(c(c2Cl)OCc3ccccc3)Cl)Cl
InChi [?]:
InChI=1/C20H15Cl3O2/c21-16-11-17(22)20(25-13-15-9-5-2-6-10-15)18(23)19(16)24-12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,11,7,17,4,18,10,12,14,9,13,25,24,15,8,16/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(14,15)(16,17)(19,20)(21,22)(24,25)/rA:25nCCCCCCCOCCCCCCClOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s13;s16;s17;s18;d19;s20;d21;d18s22;s12;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15Cl3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.818
Area:581.066
Solvation:-3.70862
Coulombic:-19.9851
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.69
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):6.65

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Descriptor Annotations

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