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Chemical ID: 6919270
Chemical ID:
6919270
Name [?]:
2-chloro-1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1cc2c(c(c1)O)C(=O)c3c(cc(c(c3O)Cl)O)C2=O
InChi [?]:
InChI=1/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,13,2,4,12,6,14,5,11,15,20,9,16,18,8,19,21,10,17/rA:21nCCCCCCCOCOCCCCCCOClOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;s14;s4s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9ClO5 |
All Atoms: | 30 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.96247 |
Area: | 445.013 |
Solvation: | -6.16287 |
Coulombic: | -60.9283 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 304.682 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.1 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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