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Chemical ID: 5247028
Chemical ID:
5247028
Name [?]:
1,2,5-trihydroxyanthracene-9,10-dione
SMILES [?]:
c1cc2c(c(c1)O)C(=O)c3ccc(c(c3C2=O)O)O
InChi [?]:
InChI=1/C14H8O5/c15-8-3-1-2-6-10(8)12(17)7-4-5-9(16)14(19)11(7)13(6)18/h1-5,15-16,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,10,5,13,4,15,8,16,14,7,19,9,17,18/rA:19nCCCCCCOCOCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s5;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: | 4.12043 |
Area: | 398.26 |
Solvation: | -5.83607 |
Coulombic: | -62.1197 |
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): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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