Chemical ID: 4578041

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)OCCO)C2=O
Chemical ID:
4578041
Name [?]:
1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)OCCO)C2=O
InChi [?]:
InChI=1/C17H14O6/c1-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(7-13(15)20)23-3-2-18/h4-7,18-20H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,13,15,2,14,4,12,6,16,5,11,22,9,21,8,17,23,10,18/rA:23nCCCCCCCOCOCCCCCCOOCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s18;s19;s20;s4s12;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.33009
Area:485.495
Solvation:-7.80729
Coulombic:-68.2487
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.289
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.52
LogP (Chemaxon):2.95

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Descriptor Annotations

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