Chemical ID: 6919297

Cc1ccc2c(c1O)C(=O)c3ccc(c(c3C2=O)O)O
Chemical ID:
6919297
Name [?]:
1,2,5-trihydroxy-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1ccc2c(c1O)C(=O)c3ccc(c(c3C2=O)O)O
InChi [?]:
InChI=1/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,2,5,11,14,6,16,7,9,17,15,20,8,10,18,19/rA:20nCCCCCCCOCOCCCCCCCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s5s16;d17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O5
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.51199
Area:413.101
Solvation:-5.81555
Coulombic:-62.022
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:270.237
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):3.36

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