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Chemical ID: 5581242
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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