Chemical ID: 5581477

c1cc(c(cc1C(=O)c2c(cc(cc2O)O)O)O)O
Chemical ID:
5581477
Name [?]:
(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)-methanone
SMILES [?]:
c1cc(c(cc1C(=O)c2c(cc(cc2O)O)O)O)O
InChi [?]:
InChI=1/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
InChi Info:
AuxInfo=1/0/N:1,2,5,11,13,6,12,3,4,10,14,9,7,16,19,18,17,15,8/E:(4,5)(10,11)(17,18)/rA:19nCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s12;s10;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.61361
Area:430.284
Solvation:-6.14349
Coulombic:-87.0389
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.215
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:0.08
LogP (Chemaxon):3.15

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