Chemical ID: 6919373

COc1ccc(cc1O)c2coc3cc(cc(c3c2=O)O)O
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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