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Chemical ID: 6919297
Chemical ID:
6919297
Name [?]:
1,2,5-trihydroxy-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1ccc2c(c1O)C(=O)c3ccc(c(c3C2=O)O)O
InChi [?]:
InChI=1/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,2,5,11,14,6,16,7,9,17,15,20,8,10,18,19/rA:20nCCCCCCCOCOCCCCCCCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s5s16;d17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O5 |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.51199 |
Area: | 413.101 |
Solvation: | -5.81555 |
Coulombic: | -62.022 |
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: | 1.7 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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