Chemical ID: 4517926

Cc1cc(c2c3c1c(cc4c3-c5c(c(cc(c5C(=O)C4(C)C)O)O)C2=O)O)O
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

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Descriptor Annotations

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