Chemical ID: 5247028

c1cc2c(c(c1)O)C(=O)c3ccc(c(c3C2=O)O)O
Chemical ID:
5247028
Name [?]:
1,2,5-trihydroxyanthracene-9,10-dione
SMILES [?]:
c1cc2c(c(c1)O)C(=O)c3ccc(c(c3C2=O)O)O
InChi [?]:
InChI=1/C14H8O5/c15-8-3-1-2-6-10(8)12(17)7-4-5-9(16)14(19)11(7)13(6)18/h1-5,15-16,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,10,5,13,4,15,8,16,14,7,19,9,17,18/rA:19nCCCCCCOCOCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s3s15;d16;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.12043
Area:398.26
Solvation:-5.83607
Coulombic:-62.1197
Bond Count [?]
All:21
Single:13
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:256.21
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.47
LogP (Chemaxon):2.89

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