Chemical ID: 6046304

c1cc(c(cc1CC(=O)c2ccc(cc2O)O)O)O
Chemical ID:
6046304
Name [?]:
1-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)-ethanone
SMILES [?]:
c1cc(c(cc1CC(=O)c2ccc(cc2O)O)O)O
InChi [?]:
InChI=1/C14H12O5/c15-9-2-3-10(13(18)7-9)12(17)5-8-1-4-11(16)14(19)6-8/h1-4,6-7,15-16,18-19H,5H2
InChi Info:
AuxInfo=1/0/N:1,12,11,2,7,5,14,6,13,10,3,8,15,4,17,19,9,16,18/rA:19nCCCCCCCCOCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.58471
Area:441.196
Solvation:-6.44519
Coulombic:-70.0384
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.242
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.93
LogP (Chemaxon):2.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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