ChemDB: Chemical Search
Download
Chemical ID: 4773331
Chemical ID:
4773331
Name [?]:
5,7-dihydroxy-2,3-diphenyl-chromen-4-one
SMILES [?]:
c1ccc(cc1)c2c(=O)c3c(cc(cc3oc2c4ccccc4)O)O
InChi [?]:
InChI=1/C21H14O4/c22-15-11-16(23)19-17(12-15)25-21(14-9-5-2-6-10-14)18(20(19)24)13-7-3-1-4-8-13/h1-12,22-23H
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,12,14,4,18,13,11,15,7,10,8,17,24,25,9,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCOCCCCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s17;s18;d19;s20;d21;d18s22;s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21924 |
Area: | 500.444 |
Solvation: | -4.29187 |
Coulombic: | -49.8051 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.68 |
LogP (Chemaxon): | 5.38 |
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 |
---|