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Chemical ID: 5247026
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
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Experimental Annotations
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Descriptor Annotations
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