ChemDB: Chemical Search
Download
Chemical ID: 5789430
Chemical ID:
5789430
Name [?]:
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-chromen-4-one
SMILES [?]:
c1cc(c(cc1c2cc(=O)c3ccc(c(c3o2)O)O)O)O
InChi [?]:
InChI=1/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
InChi Info:
AuxInfo=1/0/N:1,12,2,13,5,8,6,11,3,14,9,4,7,15,16,21,19,10,20,18,17/rA:21nCCCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s15;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.99148 |
Area: | 457.612 |
Solvation: | -6.44882 |
Coulombic: | -79.0693 |
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: | 1.6 |
LogP (Chemaxon): | 2.48 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|