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Chemical ID: 4567736
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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