Chemical ID: 5789716

c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)O)O
Chemical ID:
5789716
Name [?]:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
SMILES [?]:
c1cc(c(cc1C2CC(=O)c3c(cc(cc3O2)O)O)O)O
InChi [?]:
InChI=1/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,5,13,15,8,6,14,3,4,12,9,7,16,11,18,21,20,19,10,17/rA:21cCCCCCCCCCOCCCCCCOOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:4.73255
Area:456.105
Solvation:-6.67008
Coulombic:-77.2914
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.252
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:0.75
LogP (Chemaxon):2.35

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Descriptor Annotations

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