Chemical ID: 5581242

c1cc(ccc1c2coc3cc(c(c(c3c2=O)O)O)O)O
Chemical ID:
5581242
Name [?]:
5,6,7-trihydroxy-3-(4-hydroxyphenyl)-chromen-4-one
SMILES [?]:
c1cc(ccc1c2coc3cc(c(c(c3c2=O)O)O)O)O
InChi [?]:
InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,8,6,3,7,12,10,15,16,13,14,21,20,17,19,18,9/E:(1,2)(3,4)/rA:21nCCCCCCCCOCCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s14;s13;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.5413
Area:446.019
Solvation:-6.60918
Coulombic:-77.5233
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.236
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.71
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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