ChemDB: Chemical Search
Download
Chemical ID: 6915606
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
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 |
---|