Chemical ID: 4558869

COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O
Chemical ID:
4558869
Name [?]:
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-chromen-4-one
SMILES [?]:
COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O
InChi [?]:
InChI=1/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,16,18,11,5,17,8,15,12,10,3,19,14,21,9,22,13,2,20/rA:22nCOCCCCCCOCCCOCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.18695
Area:475.239
Solvation:-6.69402
Coulombic:-68.7969
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.263
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):3.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue