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Chemical ID: 3966512
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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