Chemical ID: 4567736

CCc1c(c2cc3c(coc3c(c2oc1=O)C)c4cccc(c4)OC)C
Chemical ID:
4567736
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(coc3c(c2oc1=O)C)c4cccc(c4)OC)C
InChi [?]:
InChI=1/C22H20O4/c1-5-16-12(2)17-10-18-19(14-7-6-8-15(9-14)24-4)11-25-20(18)13(3)21(17)26-22(16)23/h6-11H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,17,25,2,20,19,21,23,6,9,4,12,18,22,3,5,7,8,11,13,15,16,24,10,14/rA:26nCCCCCCCCCOCCCOCOCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s7s10;d11;d5s12;s13;s3s14;d15;s12;s8;s18;d19;s20;d21;d18s22;s22;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.53655
Area:547.745
Solvation:-4.15708
Coulombic:-34.3245
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.392
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):5.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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