Chemical ID: 5247026

c1cc2c(cc1O)C(=O)c3ccc(c(c3C2=O)O)O
Chemical ID:
5247026
Name [?]:
1,2,6-trihydroxyanthracene-9,10-dione
SMILES [?]:
c1cc2c(cc1O)C(=O)c3ccc(c(c3C2=O)O)O
InChi [?]:
InChI=1/C14H8O5/c15-6-1-2-7-9(5-6)12(17)8-3-4-10(16)14(19)11(8)13(7)18/h1-5,15-16,19H
InChi Info:
AuxInfo=1/0/N:1,2,11,12,5,6,3,10,4,13,15,8,16,14,7,19,9,17,18/rA:19nCCCCCCOCOCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;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:4.63079
Area:405.269
Solvation:-5.50095
Coulombic:-62.5822
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):2.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue