Chemical ID: 5580268

c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)C(=O)O
Chemical ID:
5580268
Name [?]:
4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
SMILES [?]:
c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)C(=O)O
InChi [?]:
InChI=1/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,10,12,2,11,6,9,4,13,5,14,7,15,20,18,19,17,8,16,21,22/E:(21,22)/rA:22nCCCCCCCOCCCCCCCOOOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s5s14;d15;s13;s11;s4;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8O7
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.57819
Area:454.141
Solvation:-6.77534
Coulombic:-86.9842
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:300.22
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:0.66
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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