Chemical ID: 3966512

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
Chemical ID:
3966512
Name [?]:
1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
InChi [?]:
InChI=1/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,13,15,2,14,4,12,6,16,5,11,19,9,18,8,17,20,10/rA:20nCCCCCCCOCOCCCCCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s4s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.53874
Area:418.1
Solvation:-5.91375
Coulombic:-60.866
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:1.48
LogP (Chemaxon):3.36

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