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Chemical ID: 4517926
Chemical ID:
4517926
Name [?]:
None
SMILES [?]:
Cc1cc(c2c3c1c(cc4c3-c5c(c(cc(c5C(=O)C4(C)C)O)O)C2=O)O)O
InChi [?]:
InChI=1/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,3,9,15,2,10,4,8,14,16,7,11,5,13,17,6,12,25,18,20,28,27,24,23,26,19/E:(2,3)/rA:28nCCCCCCCCCCCCCCCCCCOCCCOOCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s10s18;s20;s20;s16;s14;s5s13;d25;s8;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.21536 |
Area: | 492.435 |
Solvation: | -7.09552 |
Coulombic: | -76.207 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 376.359 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.73 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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