Chemical ID: 6915606

COc1ccc(c(c1)O)c2coc3cc(ccc3c2=O)O
Chemical ID:
6915606
Name [?]:
7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)-chromen-4-one
SMILES [?]:
COc1ccc(c(c1)O)c2coc3cc(ccc3c2=O)O
InChi [?]:
InChI=1/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,4,17,5,14,8,11,15,3,6,18,10,7,13,19,21,9,20,2,12/rA:21nCOCCCCCCOCCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O5
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.86796
Area:457.725
Solvation:-5.57516
Coulombic:-53.9544
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:284.263
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.22
LogP (Chemaxon):3.03

Name Annotations

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Descriptor Annotations

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