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Chemical ID: 6919373
Chemical ID:
6919373
Name [?]:
5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one
SMILES [?]:
COc1ccc(cc1O)c2coc3cc(cc(c3c2=O)O)O
InChi [?]:
InChI=1/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,16,14,11,6,15,10,8,17,3,13,18,19,22,9,21,20,2,12/rA:22nCOCCCCCCOCCOCCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12O6 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.01811 |
Area: | 470.509 |
Solvation: | -6.74461 |
Coulombic: | -68.8254 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.39 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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