Chemical ID: 5261922

c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O
Chemical ID:
5261922
Name [?]:
None
SMILES [?]:
c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O
InChi [?]:
InChI=1/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,19,5,12,14,11,4,3,18,16,6,20,8,21,22,9,10,7,17/E:(17,18)(19,20)/rA:22nCCCCCCOCOOCCCCCCOCCCOO/rB:s1;d2;s3;s4;d5;s3s6;s6;d8;s8;d4;d1s11;s12;d13;s14;d15;s16;s14s17;s11d18;s16;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H8O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.73715
Area:473.456
Solvation:-4.09926
Coulombic:-72.1422
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.231
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):2.77

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Experimental Annotations

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Descriptor Annotations

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